notbugAs an Amazon Associate I earn from qualifying purchases.
Want a good read? Try FreeBSD Mastery: Jails (IT Mastery Book 15)

/commits.php is going away

I'm proposing to take /commits.php away - it mainly duplicates the home page. Details in this GitHub issue.
Port details
nwchem-data Data for NWChem, the computational chemistry software
7.0.2 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 7.0.2Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2019-01-26 22:00:32
Last Update: 2021-04-07 08:09:01
Commit Hash: cf118cc
License: ECL20
Description:
SVNWeb : git : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (1444 items)
Collapse this list.
  1. /usr/local/share/licenses/nwchem-data-7.0.2/catalog.mk
  2. /usr/local/share/licenses/nwchem-data-7.0.2/LICENSE
  3. /usr/local/share/licenses/nwchem-data-7.0.2/ECL20
  4. share/nwchem/data/amber_q/ABE.frg
  5. share/nwchem/data/amber_q/BNZ.frg
  6. share/nwchem/data/amber_q/BTH.frg
  7. share/nwchem/data/amber_q/BTH.sgm
  8. share/nwchem/data/amber_q/BTO.frg
  9. share/nwchem/data/amber_q/BTO.sgm
  10. share/nwchem/data/amber_q/BUT.frg
  11. share/nwchem/data/amber_q/BUT.sgm
  12. share/nwchem/data/amber_q/CA.frg
  13. share/nwchem/data/amber_q/CTR.frg
  14. share/nwchem/data/amber_q/Ca.sgm
  15. share/nwchem/data/amber_q/DTT.frg
  16. share/nwchem/data/amber_q/EAM.frg
  17. share/nwchem/data/amber_q/FUC.sgm
  18. share/nwchem/data/amber_q/G31.frg
  19. share/nwchem/data/amber_q/G61.frg
  20. share/nwchem/data/amber_q/G64.frg
  21. share/nwchem/data/amber_q/GA1.frg
  22. share/nwchem/data/amber_q/GA2.frg
  23. share/nwchem/data/amber_q/GA3.frg
  24. share/nwchem/data/amber_q/GA3.sgm
  25. share/nwchem/data/amber_q/GAL.frg
  26. share/nwchem/data/amber_q/GAO.frg
  27. share/nwchem/data/amber_q/GC1.frg
  28. share/nwchem/data/amber_q/GC2.frg
  29. share/nwchem/data/amber_q/GC2.sgm
  30. share/nwchem/data/amber_q/GC3.sgm
  31. share/nwchem/data/amber_q/GCN.frg
  32. share/nwchem/data/amber_q/GDP.frg
  33. share/nwchem/data/amber_q/GL1.frg
  34. share/nwchem/data/amber_q/GL2.frg
  35. share/nwchem/data/amber_q/GL3.frg
  36. share/nwchem/data/amber_q/GL4.frg
  37. share/nwchem/data/amber_q/GL4.sgm
  38. share/nwchem/data/amber_q/GL5.frg
  39. share/nwchem/data/amber_q/GL5.sgm
  40. share/nwchem/data/amber_q/GL6.frg
  41. share/nwchem/data/amber_q/GL6.sgm
  42. share/nwchem/data/amber_q/GL7.frg
  43. share/nwchem/data/amber_q/GL7.sgm
  44. share/nwchem/data/amber_q/GL8.sgm
  45. share/nwchem/data/amber_q/GLT.sgm
  46. share/nwchem/data/amber_q/GNP.frg
  47. share/nwchem/data/amber_q/GTL.sgm
  48. share/nwchem/data/amber_q/GTP.frg
  49. share/nwchem/data/amber_q/HDH.frg
  50. share/nwchem/data/amber_q/HDH.sgm
  51. share/nwchem/data/amber_q/HDO.frg
  52. share/nwchem/data/amber_q/HDO.sgm
  53. share/nwchem/data/amber_q/HED.sgm
  54. share/nwchem/data/amber_q/HEM.frg
  55. share/nwchem/data/amber_q/HEP.frg
  56. share/nwchem/data/amber_q/HEP.sgm
  57. share/nwchem/data/amber_q/HP1.frg
  58. share/nwchem/data/amber_q/HP2.frg
  59. share/nwchem/data/amber_q/HP3.frg
  60. share/nwchem/data/amber_q/HP4.frg
  61. share/nwchem/data/amber_q/HP4.sgm
  62. share/nwchem/data/amber_q/HP5.frg
  63. share/nwchem/data/amber_q/HP5.sgm
  64. share/nwchem/data/amber_q/HPD.frg
  65. share/nwchem/data/amber_q/HXO.frg
  66. share/nwchem/data/amber_q/IPS.frg
  67. share/nwchem/data/amber_q/KD1.frg
  68. share/nwchem/data/amber_q/KD2.frg
  69. share/nwchem/data/amber_q/KD3.frg
  70. share/nwchem/data/amber_q/KD4.frg
  71. share/nwchem/data/amber_q/KD4.sgm
  72. share/nwchem/data/amber_q/KD5.frg
  73. share/nwchem/data/amber_q/KD5.sgm
  74. share/nwchem/data/amber_q/KDN.frg
  75. share/nwchem/data/amber_q/LCX.frg
  76. share/nwchem/data/amber_q/LPO.sgm
  77. share/nwchem/data/amber_q/MA2.sgm
  78. share/nwchem/data/amber_q/MA3.sgm
  79. share/nwchem/data/amber_q/MA4.sgm
  80. share/nwchem/data/amber_q/MAN.frg
  81. share/nwchem/data/amber_q/NH4.frg
  82. share/nwchem/data/amber_q/NTR.frg
  83. share/nwchem/data/amber_q/Na.sgm
  84. share/nwchem/data/amber_q/O4P.frg
  85. share/nwchem/data/amber_q/PET.frg
  86. share/nwchem/data/amber_q/PET.sgm
  87. share/nwchem/data/amber_q/PNT.frg
  88. share/nwchem/data/amber_q/PO4.frg
  89. share/nwchem/data/amber_q/PO4.sgm
  90. share/nwchem/data/amber_q/PPO.frg
  91. share/nwchem/data/amber_q/RH2.frg
  92. share/nwchem/data/amber_q/RH2.sgm
  93. share/nwchem/data/amber_q/RH3.sgm
  94. share/nwchem/data/amber_q/RHA.frg
  95. share/nwchem/data/amber_q/SEP.frg
  96. share/nwchem/data/amber_q/SO4.frg
  97. share/nwchem/data/amber_q/TPO.frg
  98. share/nwchem/data/amber_q/amber.par
  99. share/nwchem/data/amber_q/coc.frg
  100. share/nwchem/data/amber_q/etl.frg
  101. share/nwchem/data/amber_q/ions.par
  102. share/nwchem/data/amber_q/lps_Pa/BTH.frg
  103. share/nwchem/data/amber_q/lps_Pa/BTH.sgm
  104. share/nwchem/data/amber_q/lps_Pa/BTO.frg
  105. share/nwchem/data/amber_q/lps_Pa/BTO.sgm
  106. share/nwchem/data/amber_q/lps_Pa/BUT.frg
  107. share/nwchem/data/amber_q/lps_Pa/BUT.sgm
  108. share/nwchem/data/amber_q/lps_Pa/GA3.frg
  109. share/nwchem/data/amber_q/lps_Pa/GA3.sgm
  110. share/nwchem/data/amber_q/lps_Pa/GC3.sgm
  111. share/nwchem/data/amber_q/lps_Pa/GL4.frg
  112. share/nwchem/data/amber_q/lps_Pa/GL4.sgm
  113. share/nwchem/data/amber_q/lps_Pa/GL5.frg
  114. share/nwchem/data/amber_q/lps_Pa/GL5.sgm
  115. share/nwchem/data/amber_q/lps_Pa/GL6.frg
  116. share/nwchem/data/amber_q/lps_Pa/GL6.sgm
  117. share/nwchem/data/amber_q/lps_Pa/GL7.frg
  118. share/nwchem/data/amber_q/lps_Pa/GL7.sgm
  119. share/nwchem/data/amber_q/lps_Pa/HDH.frg
  120. share/nwchem/data/amber_q/lps_Pa/HDH.sgm
  121. share/nwchem/data/amber_q/lps_Pa/HDO.frg
  122. share/nwchem/data/amber_q/lps_Pa/HDO.sgm
  123. share/nwchem/data/amber_q/lps_Pa/HEP.frg
  124. share/nwchem/data/amber_q/lps_Pa/HEP.sgm
  125. share/nwchem/data/amber_q/lps_Pa/HP4.frg
  126. share/nwchem/data/amber_q/lps_Pa/HP4.sgm
  127. share/nwchem/data/amber_q/lps_Pa/HP5.frg
  128. share/nwchem/data/amber_q/lps_Pa/HP5.sgm
  129. share/nwchem/data/amber_q/lps_Pa/KD4.frg
  130. share/nwchem/data/amber_q/lps_Pa/KD4.sgm
  131. share/nwchem/data/amber_q/lps_Pa/KD5.frg
  132. share/nwchem/data/amber_q/lps_Pa/KD5.sgm
  133. share/nwchem/data/amber_q/lps_Pa/PET.frg
  134. share/nwchem/data/amber_q/lps_Pa/PET.sgm
  135. share/nwchem/data/amber_q/lps_Pa/PO4.frg
  136. share/nwchem/data/amber_q/lps_Pa/PO4.sgm
  137. share/nwchem/data/amber_q/lps_Pa/RH2.frg
  138. share/nwchem/data/amber_q/lps_Pa/RH2.sgm
  139. share/nwchem/data/amber_q/lps_ec/BU1.frg
  140. share/nwchem/data/amber_q/lps_ec/BU2.frg
  141. share/nwchem/data/amber_q/lps_ec/GA1.frg
  142. share/nwchem/data/amber_q/lps_ec/GL1.frg
  143. share/nwchem/data/amber_q/lps_ec/GL2.frg
  144. share/nwchem/data/amber_q/lps_ec/GL3.frg
  145. share/nwchem/data/amber_q/lps_ec/GN1.frg
  146. share/nwchem/data/amber_q/lps_ec/GN2.frg
  147. share/nwchem/data/amber_q/lps_ec/HE1.frg
  148. share/nwchem/data/amber_q/lps_ec/HE2.frg
  149. share/nwchem/data/amber_q/lps_ec/HE3.frg
  150. share/nwchem/data/amber_q/lps_ec/HE4.frg
  151. share/nwchem/data/amber_q/lps_ec/KD1.frg
  152. share/nwchem/data/amber_q/lps_ec/KD2.frg
  153. share/nwchem/data/amber_q/lps_ec/PO4.frg
  154. share/nwchem/data/amber_q/lps_ec/POC.frg
  155. share/nwchem/data/amber_q/lps_ec/POH.frg
  156. share/nwchem/data/amber_q/lps_ec/PT1.frg
  157. share/nwchem/data/amber_q/lps_ec/PT2.frg
  158. share/nwchem/data/amber_s/ACE.frg
  159. share/nwchem/data/amber_s/ACE_N.sgm
  160. share/nwchem/data/amber_s/ALA.frg
  161. share/nwchem/data/amber_s/ALA.sgm
  162. share/nwchem/data/amber_s/ALA_C.frg
  163. share/nwchem/data/amber_s/ALA_C.sgm
  164. share/nwchem/data/amber_s/ALA_N.frg
  165. share/nwchem/data/amber_s/ALA_N.sgm
  166. share/nwchem/data/amber_s/ARG.frg
  167. share/nwchem/data/amber_s/ARG.sgm
  168. share/nwchem/data/amber_s/ARG_C.frg
  169. share/nwchem/data/amber_s/ARG_C.sgm
  170. share/nwchem/data/amber_s/ARG_N.frg
  171. share/nwchem/data/amber_s/ARG_N.sgm
  172. share/nwchem/data/amber_s/ASH.frg
  173. share/nwchem/data/amber_s/ASH.sgm
  174. share/nwchem/data/amber_s/ASN.frg
  175. share/nwchem/data/amber_s/ASN.sgm
  176. share/nwchem/data/amber_s/ASN_C.frg
  177. share/nwchem/data/amber_s/ASN_C.sgm
  178. share/nwchem/data/amber_s/ASN_N.frg
  179. share/nwchem/data/amber_s/ASN_N.sgm
  180. share/nwchem/data/amber_s/ASP.frg
  181. share/nwchem/data/amber_s/ASP.sgm
  182. share/nwchem/data/amber_s/ASP_C.frg
  183. share/nwchem/data/amber_s/ASP_C.sgm
  184. share/nwchem/data/amber_s/ASP_N.frg
  185. share/nwchem/data/amber_s/ASP_N.sgm
  186. share/nwchem/data/amber_s/CYM.frg
  187. share/nwchem/data/amber_s/CYS.frg
  188. share/nwchem/data/amber_s/CYS.sgm
  189. share/nwchem/data/amber_s/CYS_C.frg
  190. share/nwchem/data/amber_s/CYS_C.sgm
  191. share/nwchem/data/amber_s/CYS_N.frg
  192. share/nwchem/data/amber_s/CYS_N.sgm
  193. share/nwchem/data/amber_s/CYX.frg
  194. share/nwchem/data/amber_s/CYX.sgm
  195. share/nwchem/data/amber_s/CYX1.sgm
  196. share/nwchem/data/amber_s/CYX2.sgm
  197. share/nwchem/data/amber_s/CYX_C.frg
  198. share/nwchem/data/amber_s/CYX_C.sgm
  199. share/nwchem/data/amber_s/CYX_N.frg
  200. share/nwchem/data/amber_s/Cl.frg
  201. share/nwchem/data/amber_s/Cl.sgm
  202. share/nwchem/data/amber_s/DA.frg
  203. share/nwchem/data/amber_s/DA_3.frg
  204. share/nwchem/data/amber_s/DA_5.frg
  205. share/nwchem/data/amber_s/DA_M.frg
  206. share/nwchem/data/amber_s/DC.frg
  207. share/nwchem/data/amber_s/DC_3.frg
  208. share/nwchem/data/amber_s/DC_5.frg
  209. share/nwchem/data/amber_s/DC_M.frg
  210. share/nwchem/data/amber_s/DG.frg
  211. share/nwchem/data/amber_s/DG_3.frg
  212. share/nwchem/data/amber_s/DG_5.frg
  213. share/nwchem/data/amber_s/DG_M.frg
  214. share/nwchem/data/amber_s/DT.frg
  215. share/nwchem/data/amber_s/DT_3.frg
  216. share/nwchem/data/amber_s/DT_5.frg
  217. share/nwchem/data/amber_s/DT_M.frg
  218. share/nwchem/data/amber_s/FE.frg
  219. share/nwchem/data/amber_s/GLH.frg
  220. share/nwchem/data/amber_s/GLH.sgm
  221. share/nwchem/data/amber_s/GLN.frg
  222. share/nwchem/data/amber_s/GLN.sgm
  223. share/nwchem/data/amber_s/GLN_C.frg
  224. share/nwchem/data/amber_s/GLN_C.sgm
  225. share/nwchem/data/amber_s/GLN_N.frg
  226. share/nwchem/data/amber_s/GLN_N.sgm
  227. share/nwchem/data/amber_s/GLU.frg
  228. share/nwchem/data/amber_s/GLU.sgm
  229. share/nwchem/data/amber_s/GLU_C.frg
  230. share/nwchem/data/amber_s/GLU_C.sgm
  231. share/nwchem/data/amber_s/GLU_N.frg
  232. share/nwchem/data/amber_s/GLU_N.sgm
  233. share/nwchem/data/amber_s/GLY.frg
  234. share/nwchem/data/amber_s/GLY.sgm
  235. share/nwchem/data/amber_s/GLY_C.frg
  236. share/nwchem/data/amber_s/GLY_C.sgm
  237. share/nwchem/data/amber_s/GLY_N.frg
  238. share/nwchem/data/amber_s/GLY_N.sgm
  239. share/nwchem/data/amber_s/HID.frg
  240. share/nwchem/data/amber_s/HID.sgm
  241. share/nwchem/data/amber_s/HID_C.frg
  242. share/nwchem/data/amber_s/HID_C.sgm
  243. share/nwchem/data/amber_s/HID_N.frg
  244. share/nwchem/data/amber_s/HID_N.sgm
  245. share/nwchem/data/amber_s/HIE.frg
  246. share/nwchem/data/amber_s/HIE.sgm
  247. share/nwchem/data/amber_s/HIE_C.frg
  248. share/nwchem/data/amber_s/HIE_C.sgm
  249. share/nwchem/data/amber_s/HIE_N.frg
  250. share/nwchem/data/amber_s/HIE_N.sgm
  251. share/nwchem/data/amber_s/HIP.frg
  252. share/nwchem/data/amber_s/HIP.sgm
  253. share/nwchem/data/amber_s/HIP_C.frg
  254. share/nwchem/data/amber_s/HIP_C.sgm
  255. share/nwchem/data/amber_s/HIP_N.frg
  256. share/nwchem/data/amber_s/HIP_N.sgm
  257. share/nwchem/data/amber_s/HOH.frg
  258. share/nwchem/data/amber_s/ILE.frg
  259. share/nwchem/data/amber_s/ILE.sgm
  260. share/nwchem/data/amber_s/ILE_C.frg
  261. share/nwchem/data/amber_s/ILE_C.sgm
  262. share/nwchem/data/amber_s/ILE_N.frg
  263. share/nwchem/data/amber_s/ILE_N.sgm
  264. share/nwchem/data/amber_s/IM.frg
  265. share/nwchem/data/amber_s/IM.sgm
  266. share/nwchem/data/amber_s/IP.frg
  267. share/nwchem/data/amber_s/K.frg
  268. share/nwchem/data/amber_s/K.sgm
  269. share/nwchem/data/amber_s/LEU.frg
  270. share/nwchem/data/amber_s/LEU.sgm
  271. share/nwchem/data/amber_s/LEU_C.frg
  272. share/nwchem/data/amber_s/LEU_C.sgm
  273. share/nwchem/data/amber_s/LEU_N.frg
  274. share/nwchem/data/amber_s/LEU_N.sgm
  275. share/nwchem/data/amber_s/LYN.frg
  276. share/nwchem/data/amber_s/LYS.frg
  277. share/nwchem/data/amber_s/LYS.sgm
  278. share/nwchem/data/amber_s/LYS_C.frg
  279. share/nwchem/data/amber_s/LYS_C.sgm
  280. share/nwchem/data/amber_s/LYS_N.frg
  281. share/nwchem/data/amber_s/LYS_N.sgm
  282. share/nwchem/data/amber_s/Li.frg
  283. share/nwchem/data/amber_s/MET.frg
  284. share/nwchem/data/amber_s/MET.sgm
  285. share/nwchem/data/amber_s/MET_C.frg
  286. share/nwchem/data/amber_s/MET_C.sgm
  287. share/nwchem/data/amber_s/MET_N.frg
  288. share/nwchem/data/amber_s/MET_N.sgm
  289. share/nwchem/data/amber_s/MG.frg
  290. share/nwchem/data/amber_s/NME.frg
  291. share/nwchem/data/amber_s/NME_C.sgm
  292. share/nwchem/data/amber_s/Na.frg
  293. share/nwchem/data/amber_s/Na.sgm
  294. share/nwchem/data/amber_s/PHE.frg
  295. share/nwchem/data/amber_s/PHE.sgm
  296. share/nwchem/data/amber_s/PHE_C.frg
  297. share/nwchem/data/amber_s/PHE_C.sgm
  298. share/nwchem/data/amber_s/PHE_N.frg
  299. share/nwchem/data/amber_s/PHE_N.sgm
  300. share/nwchem/data/amber_s/PRO.frg
  301. share/nwchem/data/amber_s/PRO.sgm
  302. share/nwchem/data/amber_s/PRO_C.frg
  303. share/nwchem/data/amber_s/PRO_C.sgm
  304. share/nwchem/data/amber_s/PRO_N.frg
  305. share/nwchem/data/amber_s/PRO_N.sgm
  306. share/nwchem/data/amber_s/RA.frg
  307. share/nwchem/data/amber_s/RA_3.frg
  308. share/nwchem/data/amber_s/RA_5.frg
  309. share/nwchem/data/amber_s/RA_M.frg
  310. share/nwchem/data/amber_s/RC.frg
  311. share/nwchem/data/amber_s/RC_3.frg
  312. share/nwchem/data/amber_s/RC_5.frg
  313. share/nwchem/data/amber_s/RC_M.frg
  314. share/nwchem/data/amber_s/RG.frg
  315. share/nwchem/data/amber_s/RG_3.frg
  316. share/nwchem/data/amber_s/RG_5.frg
  317. share/nwchem/data/amber_s/RG_M.frg
  318. share/nwchem/data/amber_s/RU.frg
  319. share/nwchem/data/amber_s/RU_3.frg
  320. share/nwchem/data/amber_s/RU_5.frg
  321. share/nwchem/data/amber_s/RU_M.frg
  322. share/nwchem/data/amber_s/SER.frg
  323. share/nwchem/data/amber_s/SER.sgm
  324. share/nwchem/data/amber_s/SER_C.frg
  325. share/nwchem/data/amber_s/SER_C.sgm
  326. share/nwchem/data/amber_s/SER_N.frg
  327. share/nwchem/data/amber_s/SER_N.sgm
  328. share/nwchem/data/amber_s/SPC_M.sgm
  329. share/nwchem/data/amber_s/THR.frg
  330. share/nwchem/data/amber_s/THR.sgm
  331. share/nwchem/data/amber_s/THR_C.frg
  332. share/nwchem/data/amber_s/THR_C.sgm
  333. share/nwchem/data/amber_s/THR_N.frg
  334. share/nwchem/data/amber_s/THR_N.sgm
  335. share/nwchem/data/amber_s/TRP.frg
  336. share/nwchem/data/amber_s/TRP.sgm
  337. share/nwchem/data/amber_s/TRP_C.frg
  338. share/nwchem/data/amber_s/TRP_C.sgm
  339. share/nwchem/data/amber_s/TRP_N.frg
  340. share/nwchem/data/amber_s/TRP_N.sgm
  341. share/nwchem/data/amber_s/TYR.frg
  342. share/nwchem/data/amber_s/TYR.sgm
  343. share/nwchem/data/amber_s/TYR_C.frg
  344. share/nwchem/data/amber_s/TYR_C.sgm
  345. share/nwchem/data/amber_s/TYR_N.frg
  346. share/nwchem/data/amber_s/TYR_N.sgm
  347. share/nwchem/data/amber_s/VAL.frg
  348. share/nwchem/data/amber_s/VAL.sgm
  349. share/nwchem/data/amber_s/VAL_C.frg
  350. share/nwchem/data/amber_s/VAL_C.sgm
  351. share/nwchem/data/amber_s/VAL_N.frg
  352. share/nwchem/data/amber_s/VAL_N.sgm
  353. share/nwchem/data/amber_s/ZN.frg
  354. share/nwchem/data/amber_s/amber.par
  355. share/nwchem/data/amber_s/amber95.par
  356. share/nwchem/data/amber_t/amber.par
  357. share/nwchem/data/amber_u/CTT.frg
  358. share/nwchem/data/amber_u/amber.par
  359. share/nwchem/data/amber_x/amber.par
  360. share/nwchem/data/amber_x/clfm.sgm
  361. share/nwchem/data/amber_x/glycam.par
  362. share/nwchem/data/amber_x/meoh.sgm
  363. share/nwchem/data/amber_x/spce.sgm
  364. share/nwchem/data/amber_x/thfs.sgm
  365. share/nwchem/data/charmm_s/ALA.frg
  366. share/nwchem/data/charmm_s/ALA_C.frg
  367. share/nwchem/data/charmm_s/ALA_N.frg
  368. share/nwchem/data/charmm_s/ARG.frg
  369. share/nwchem/data/charmm_s/ARG_C.frg
  370. share/nwchem/data/charmm_s/ARG_N.frg
  371. share/nwchem/data/charmm_s/ASN.frg
  372. share/nwchem/data/charmm_s/ASN_C.frg
  373. share/nwchem/data/charmm_s/ASN_N.frg
  374. share/nwchem/data/charmm_s/ASP.frg
  375. share/nwchem/data/charmm_s/ASP_C.frg
  376. share/nwchem/data/charmm_s/ASP_N.frg
  377. share/nwchem/data/charmm_s/CO.frg
  378. share/nwchem/data/charmm_s/CYS.frg
  379. share/nwchem/data/charmm_s/CYS_C.frg
  380. share/nwchem/data/charmm_s/CYS_N.frg
  381. share/nwchem/data/charmm_s/CYX.frg
  382. share/nwchem/data/charmm_s/CYX_C.frg
  383. share/nwchem/data/charmm_s/CYX_N.frg
  384. share/nwchem/data/charmm_s/DUM.frg
  385. share/nwchem/data/charmm_s/GLN.frg
  386. share/nwchem/data/charmm_s/GLN_C.frg
  387. share/nwchem/data/charmm_s/GLN_N.frg
  388. share/nwchem/data/charmm_s/GLU.frg
  389. share/nwchem/data/charmm_s/GLU_C.frg
  390. share/nwchem/data/charmm_s/GLU_N.frg
  391. share/nwchem/data/charmm_s/GLY.frg
  392. share/nwchem/data/charmm_s/GLY_C.frg
  393. share/nwchem/data/charmm_s/GLY_N.frg
  394. share/nwchem/data/charmm_s/HEME.frg
  395. share/nwchem/data/charmm_s/HSD.frg
  396. share/nwchem/data/charmm_s/HSD_C.frg
  397. share/nwchem/data/charmm_s/HSD_N.frg
  398. share/nwchem/data/charmm_s/HSE.frg
  399. share/nwchem/data/charmm_s/HSE_C.frg
  400. share/nwchem/data/charmm_s/HSE_N.frg
  401. share/nwchem/data/charmm_s/HSP.frg
  402. share/nwchem/data/charmm_s/HSP_C.frg
  403. share/nwchem/data/charmm_s/HSP_N.frg
  404. share/nwchem/data/charmm_s/ILE.frg
  405. share/nwchem/data/charmm_s/ILE_C.frg
  406. share/nwchem/data/charmm_s/ILE_N.frg
  407. share/nwchem/data/charmm_s/LEU.frg
  408. share/nwchem/data/charmm_s/LEU_C.frg
  409. share/nwchem/data/charmm_s/LEU_N.frg
  410. share/nwchem/data/charmm_s/LYS.frg
  411. share/nwchem/data/charmm_s/LYS_C.frg
  412. share/nwchem/data/charmm_s/LYS_N.frg
  413. share/nwchem/data/charmm_s/MET.frg
  414. share/nwchem/data/charmm_s/MET_C.frg
  415. share/nwchem/data/charmm_s/MET_N.frg
  416. share/nwchem/data/charmm_s/O2.frg
  417. share/nwchem/data/charmm_s/PHE.frg
  418. share/nwchem/data/charmm_s/PHE_C.frg
  419. share/nwchem/data/charmm_s/PHE_N.frg
  420. share/nwchem/data/charmm_s/PRO.frg
  421. share/nwchem/data/charmm_s/PRO_C.frg
  422. share/nwchem/data/charmm_s/PRO_N.frg
  423. share/nwchem/data/charmm_s/SER.frg
  424. share/nwchem/data/charmm_s/SER_C.frg
  425. share/nwchem/data/charmm_s/SER_N.frg
  426. share/nwchem/data/charmm_s/THR.frg
  427. share/nwchem/data/charmm_s/THR_C.frg
  428. share/nwchem/data/charmm_s/THR_N.frg
  429. share/nwchem/data/charmm_s/TIP3.frg
  430. share/nwchem/data/charmm_s/TP3M.frg
  431. share/nwchem/data/charmm_s/TRP.frg
  432. share/nwchem/data/charmm_s/TRP_C.frg
  433. share/nwchem/data/charmm_s/TRP_N.frg
  434. share/nwchem/data/charmm_s/TYR.frg
  435. share/nwchem/data/charmm_s/TYR_C.frg
  436. share/nwchem/data/charmm_s/TYR_N.frg
  437. share/nwchem/data/charmm_s/VAL.frg
  438. share/nwchem/data/charmm_s/VAL_C.frg
  439. share/nwchem/data/charmm_s/VAL_N.frg
  440. share/nwchem/data/charmm_s/ZN2.frg
  441. share/nwchem/data/charmm_s/charmm.par
  442. share/nwchem/data/charmm_s/par_all27_na_lipid.par
  443. share/nwchem/data/charmm_s/par_all27_prot_lipid.par
  444. share/nwchem/data/charmm_s/par_all27_prot_na.par
  445. share/nwchem/data/charmm_s/par_all32_lipid.par
  446. share/nwchem/data/charmm_s/par_all35_ethers.par
  447. share/nwchem/data/charmm_x/GLU_C.frg
  448. share/nwchem/data/charmm_x/MET_N.frg
  449. share/nwchem/data/charmm_x/Na.frg
  450. share/nwchem/data/charmm_x/Na_M.frg
  451. share/nwchem/data/charmm_x/spce.sgm
  452. share/nwchem/data/charmm_x/spce_M.sgm
  453. share/nwchem/data/solvents/clfm.rst
  454. share/nwchem/data/solvents/meoh.rst
  455. share/nwchem/data/solvents/spce.rst
  456. share/nwchem/data/solvents/thfs.rst
  457. share/nwchem/libraries/2zapa-nr
  458. share/nwchem/libraries/2zapa-nr_cv
  459. share/nwchem/libraries/3-21++g
  460. share/nwchem/libraries/3-21++gs
  461. share/nwchem/libraries/3-21g
  462. share/nwchem/libraries/3-21gs
  463. share/nwchem/libraries/3-21gs_polarization
  464. share/nwchem/libraries/3-21gsp
  465. share/nwchem/libraries/3zapa-nr
  466. share/nwchem/libraries/3zapa-nr_cv
  467. share/nwchem/libraries/4-22gsp
  468. share/nwchem/libraries/4-31g
  469. share/nwchem/libraries/4zapa-nr
  470. share/nwchem/libraries/4zapa-nr_cv
  471. share/nwchem/libraries/5zapa-nr
  472. share/nwchem/libraries/5zapa-nr_cv
  473. share/nwchem/libraries/5zp
  474. share/nwchem/libraries/5zp-dkh
  475. share/nwchem/libraries/6-31++g
  476. share/nwchem/libraries/6-31++gs
  477. share/nwchem/libraries/6-31++gss
  478. share/nwchem/libraries/6-31++gss-j
  479. share/nwchem/libraries/6-31+g
  480. share/nwchem/libraries/6-31+gs
  481. share/nwchem/libraries/6-31+gs-j
  482. share/nwchem/libraries/6-31+gss
  483. share/nwchem/libraries/6-311++g
  484. share/nwchem/libraries/6-311++g2d_2p
  485. share/nwchem/libraries/6-311++g3df_3pd
  486. share/nwchem/libraries/6-311++gs
  487. share/nwchem/libraries/6-311++gss
  488. share/nwchem/libraries/6-311++gss-j
  489. share/nwchem/libraries/6-311+g
  490. share/nwchem/libraries/6-311+g2d_p
  491. share/nwchem/libraries/6-311+gs
  492. share/nwchem/libraries/6-311+gs-j
  493. share/nwchem/libraries/6-311+gss
  494. share/nwchem/libraries/6-311g
  495. share/nwchem/libraries/6-311g-j
  496. share/nwchem/libraries/6-311g2df_2pd
  497. share/nwchem/libraries/6-311gs
  498. share/nwchem/libraries/6-311gs_polarization
  499. share/nwchem/libraries/6-311gss
  500. share/nwchem/libraries/6-311gss_polarization
  501. share/nwchem/libraries/6-31g
  502. share/nwchem/libraries/6-31g-blaudeau
  503. share/nwchem/libraries/6-31g-j
  504. share/nwchem/libraries/6-31g2df_p
  505. share/nwchem/libraries/6-31g3df_3pd
  506. share/nwchem/libraries/6-31gs
  507. share/nwchem/libraries/6-31gs-blaudeau
  508. share/nwchem/libraries/6-31gs_polarization
  509. share/nwchem/libraries/6-31gss
  510. share/nwchem/libraries/6-31gss_polarization
  511. share/nwchem/libraries/6zapa-nr
  512. share/nwchem/libraries/6zp
  513. share/nwchem/libraries/6zp-dkh
  514. share/nwchem/libraries/7zapa-nr
  515. share/nwchem/libraries/a5zp
  516. share/nwchem/libraries/adzp
  517. share/nwchem/libraries/ahlrichs_coulomb_fitting
  518. share/nwchem/libraries/ahlrichs_polarization
  519. share/nwchem/libraries/ahlrichs_pvdz
  520. share/nwchem/libraries/ahlrichs_tzv
  521. share/nwchem/libraries/ahlrichs_vdz
  522. share/nwchem/libraries/ahlrichs_vtz
  523. share/nwchem/libraries/ano-rcc
  524. share/nwchem/libraries/apr-cc-pvq+dz
  525. share/nwchem/libraries/aqzp
  526. share/nwchem/libraries/atzp
  527. share/nwchem/libraries/aug-cc-pcv5z
  528. share/nwchem/libraries/aug-cc-pcvdz
  529. share/nwchem/libraries/aug-cc-pcvqz
  530. share/nwchem/libraries/aug-cc-pcvt+dz
  531. share/nwchem/libraries/aug-cc-pcvtz
  532. share/nwchem/libraries/aug-cc-pv5+dz
  533. share/nwchem/libraries/aug-cc-pv5+dz_diffuse
  534. share/nwchem/libraries/aug-cc-pv5z
  535. share/nwchem/libraries/aug-cc-pv5z-dk
  536. share/nwchem/libraries/aug-cc-pv5z-dk_diffuse
  537. share/nwchem/libraries/aug-cc-pv5z-nr_mp2_fitting
  538. share/nwchem/libraries/aug-cc-pv5z-pp
  539. share/nwchem/libraries/aug-cc-pv5z-pp-ri_diffuse
  540. share/nwchem/libraries/aug-cc-pv5z-pp_diffuse
  541. share/nwchem/libraries/aug-cc-pv5z-pp_mp2_fitting
  542. share/nwchem/libraries/aug-cc-pv5z-pp_optri
  543. share/nwchem/libraries/aug-cc-pv5z-ri_diffuse
  544. share/nwchem/libraries/aug-cc-pv5z_diffuse
  545. share/nwchem/libraries/aug-cc-pv5z_optri
  546. share/nwchem/libraries/aug-cc-pv6+dz
  547. share/nwchem/libraries/aug-cc-pv6+dz_diffuse
  548. share/nwchem/libraries/aug-cc-pv6z
  549. share/nwchem/libraries/aug-cc-pv6z-ri_diffuse
  550. share/nwchem/libraries/aug-cc-pv6z_diffuse
  551. share/nwchem/libraries/aug-cc-pv7+dz
  552. share/nwchem/libraries/aug-cc-pv7z
  553. share/nwchem/libraries/aug-cc-pvd+dz
  554. share/nwchem/libraries/aug-cc-pvd+dz_diffuse
  555. share/nwchem/libraries/aug-cc-pvdz
  556. share/nwchem/libraries/aug-cc-pvdz-dk
  557. share/nwchem/libraries/aug-cc-pvdz-dk_diffuse
  558. share/nwchem/libraries/aug-cc-pvdz-pp
  559. share/nwchem/libraries/aug-cc-pvdz-pp-ri_diffuse
  560. share/nwchem/libraries/aug-cc-pvdz-pp_diffuse
  561. share/nwchem/libraries/aug-cc-pvdz-pp_mp2_fitting
  562. share/nwchem/libraries/aug-cc-pvdz-pp_optri
  563. share/nwchem/libraries/aug-cc-pvdz-ri_diffuse
  564. share/nwchem/libraries/aug-cc-pvdz_diffuse
  565. share/nwchem/libraries/aug-cc-pvdz_optri
  566. share/nwchem/libraries/aug-cc-pvq+dz
  567. share/nwchem/libraries/aug-cc-pvq+dz_diffuse
  568. share/nwchem/libraries/aug-cc-pvqz
  569. share/nwchem/libraries/aug-cc-pvqz-dk
  570. share/nwchem/libraries/aug-cc-pvqz-dk_diffuse
  571. share/nwchem/libraries/aug-cc-pvqz-nr_mp2_fitting
  572. share/nwchem/libraries/aug-cc-pvqz-pp
  573. share/nwchem/libraries/aug-cc-pvqz-pp-ri_diffuse
  574. share/nwchem/libraries/aug-cc-pvqz-pp_diffuse
  575. share/nwchem/libraries/aug-cc-pvqz-pp_mp2_fitting
  576. share/nwchem/libraries/aug-cc-pvqz-pp_optri
  577. share/nwchem/libraries/aug-cc-pvqz-ri_diffuse
  578. share/nwchem/libraries/aug-cc-pvqz_diffuse
  579. share/nwchem/libraries/aug-cc-pvqz_optri
  580. share/nwchem/libraries/aug-cc-pvt+dz
  581. share/nwchem/libraries/aug-cc-pvt+dz_diffuse
  582. share/nwchem/libraries/aug-cc-pvtz
  583. share/nwchem/libraries/aug-cc-pvtz-dk
  584. share/nwchem/libraries/aug-cc-pvtz-dk_diffuse
  585. share/nwchem/libraries/aug-cc-pvtz-j
  586. share/nwchem/libraries/aug-cc-pvtz-pp
  587. share/nwchem/libraries/aug-cc-pvtz-pp-ri_diffuse
  588. share/nwchem/libraries/aug-cc-pvtz-pp_diffuse
  589. share/nwchem/libraries/aug-cc-pvtz-pp_mp2_fitting
  590. share/nwchem/libraries/aug-cc-pvtz-pp_optri
  591. share/nwchem/libraries/aug-cc-pvtz-ri_diffuse
  592. share/nwchem/libraries/aug-cc-pvtz_diffuse
  593. share/nwchem/libraries/aug-cc-pvtz_mp2_fitting
  594. share/nwchem/libraries/aug-cc-pvtz_optri
  595. share/nwchem/libraries/aug-cc-pwcv5z
  596. share/nwchem/libraries/aug-cc-pwcv5z-dk
  597. share/nwchem/libraries/aug-cc-pwcv5z-nr
  598. share/nwchem/libraries/aug-cc-pwcv5z-pp_mp2_fitting
  599. share/nwchem/libraries/aug-cc-pwcv5z-pp_optri
  600. share/nwchem/libraries/aug-cc-pwcvdz
  601. share/nwchem/libraries/aug-cc-pwcvdz-pp_mp2_fitting
  602. share/nwchem/libraries/aug-cc-pwcvdz-pp_optri
  603. share/nwchem/libraries/aug-cc-pwcvqz
  604. share/nwchem/libraries/aug-cc-pwcvqz-dk
  605. share/nwchem/libraries/aug-cc-pwcvqz-nr
  606. share/nwchem/libraries/aug-cc-pwcvqz-pp_mp2_fitting
  607. share/nwchem/libraries/aug-cc-pwcvqz-pp_optri
  608. share/nwchem/libraries/aug-cc-pwcvtz
  609. share/nwchem/libraries/aug-cc-pwcvtz-dk
  610. share/nwchem/libraries/aug-cc-pwcvtz-nr
  611. share/nwchem/libraries/aug-cc-pwcvtz-nr_mp2_fitting
  612. share/nwchem/libraries/aug-cc-pwcvtz-pp_mp2_fitting
  613. share/nwchem/libraries/aug-cc-pwcvtz-pp_optri
  614. share/nwchem/libraries/aug-mcc-pv5z
  615. share/nwchem/libraries/aug-mcc-pv6z
  616. share/nwchem/libraries/aug-mcc-pv7z
  617. share/nwchem/libraries/aug-mcc-pv8z
  618. share/nwchem/libraries/aug-mcc-pvqz
  619. share/nwchem/libraries/aug-mcc-pvtz
  620. share/nwchem/libraries/aug-pc-0
  621. share/nwchem/libraries/aug-pc-1
  622. share/nwchem/libraries/aug-pc-2
  623. share/nwchem/libraries/aug-pc-3
  624. share/nwchem/libraries/aug-pc-4
  625. share/nwchem/libraries/aug-pc-infinity
  626. share/nwchem/libraries/aug-pcj-0
  627. share/nwchem/libraries/aug-pcj-0_2006
  628. share/nwchem/libraries/aug-pcj-1
  629. share/nwchem/libraries/aug-pcj-1_2006
  630. share/nwchem/libraries/aug-pcj-2
  631. share/nwchem/libraries/aug-pcj-2_2006
  632. share/nwchem/libraries/aug-pcj-3
  633. share/nwchem/libraries/aug-pcj-3_2006
  634. share/nwchem/libraries/aug-pcj-4
  635. share/nwchem/libraries/aug-pcj-4_2006
  636. share/nwchem/libraries/aug-pcs-0
  637. share/nwchem/libraries/aug-pcs-1
  638. share/nwchem/libraries/aug-pcs-2
  639. share/nwchem/libraries/aug-pcs-3
  640. share/nwchem/libraries/aug-pcs-4
  641. share/nwchem/libraries/aug-pcseg-0
  642. share/nwchem/libraries/aug-pcseg-1
  643. share/nwchem/libraries/aug-pcseg-2
  644. share/nwchem/libraries/aug-pcseg-3
  645. share/nwchem/libraries/aug-pcseg-4
  646. share/nwchem/libraries/aug-pcsseg-0
  647. share/nwchem/libraries/aug-pcsseg-1
  648. share/nwchem/libraries/aug-pcsseg-2
  649. share/nwchem/libraries/aug-pcsseg-3
  650. share/nwchem/libraries/aug-pcsseg-4
  651. share/nwchem/libraries/aug-pv7z
  652. share/nwchem/libraries/aug-pv7z_diffuse
  653. share/nwchem/libraries/b2_basis_set_for_zn
  654. share/nwchem/libraries/bauschlicher_ano
  655. share/nwchem/libraries/binning-curtiss_1d_polarization
  656. share/nwchem/libraries/binning-curtiss_df_polarization
  657. share/nwchem/libraries/binning_curtiss_sv
  658. share/nwchem/libraries/binning_curtiss_svp
  659. share/nwchem/libraries/binning_curtiss_vtz
  660. share/nwchem/libraries/binning_curtiss_vtzp
  661. share/nwchem/libraries/blaudeau_polarization
  662. share/nwchem/libraries/cc-pcv5z
  663. share/nwchem/libraries/cc-pcv6z
  664. share/nwchem/libraries/cc-pcv6zold
  665. share/nwchem/libraries/cc-pcvdz
  666. share/nwchem/libraries/cc-pcvdz-f12
  667. share/nwchem/libraries/cc-pcvdz-f12_mp2_fitting
  668. share/nwchem/libraries/cc-pcvdz-f12_optri
  669. share/nwchem/libraries/cc-pcvdzold
  670. share/nwchem/libraries/cc-pcvqz
  671. share/nwchem/libraries/cc-pcvqz-f12
  672. share/nwchem/libraries/cc-pcvqz-f12_mp2_fitting
  673. share/nwchem/libraries/cc-pcvqz-f12_optri
  674. share/nwchem/libraries/cc-pcvqzold
  675. share/nwchem/libraries/cc-pcvtz
  676. share/nwchem/libraries/cc-pcvtz-f12
  677. share/nwchem/libraries/cc-pcvtz-f12_mp2_fitting
  678. share/nwchem/libraries/cc-pcvtz-f12_optri
  679. share/nwchem/libraries/cc-pcvtzold
  680. share/nwchem/libraries/cc-pv5+dz
  681. share/nwchem/libraries/cc-pv5+dz-ri
  682. share/nwchem/libraries/cc-pv5z
  683. share/nwchem/libraries/cc-pv5z-dk
  684. share/nwchem/libraries/cc-pv5z-nr_mp2_fitting
  685. share/nwchem/libraries/cc-pv5z-pp
  686. share/nwchem/libraries/cc-pv5z-pp-ri
  687. share/nwchem/libraries/cc-pv5z-pp_mp2_fitting
  688. share/nwchem/libraries/cc-pv5z-ri
  689. share/nwchem/libraries/cc-pv5zfi_sf_fw
  690. share/nwchem/libraries/cc-pv5zfi_sf_lc
  691. share/nwchem/libraries/cc-pv5zfi_sf_sc
  692. share/nwchem/libraries/cc-pv5zpt_sf_fw
  693. share/nwchem/libraries/cc-pv5zpt_sf_lc
  694. share/nwchem/libraries/cc-pv5zpt_sf_sc
  695. share/nwchem/libraries/cc-pv6+dz
  696. share/nwchem/libraries/cc-pv6+dz-ri
  697. share/nwchem/libraries/cc-pv6z
  698. share/nwchem/libraries/cc-pv6z-ri
  699. share/nwchem/libraries/cc-pv8z
  700. share/nwchem/libraries/cc-pv9z
  701. share/nwchem/libraries/cc-pvd+dz
  702. share/nwchem/libraries/cc-pvd+dz-ri
  703. share/nwchem/libraries/cc-pvdz
  704. share/nwchem/libraries/cc-pvdz-dk
  705. share/nwchem/libraries/cc-pvdz-dk3
  706. share/nwchem/libraries/cc-pvdz-f12
  707. share/nwchem/libraries/cc-pvdz-f12_mp2_fitting
  708. share/nwchem/libraries/cc-pvdz-f12_optri
  709. share/nwchem/libraries/cc-pvdz-fit2-1
  710. share/nwchem/libraries/cc-pvdz-pp
  711. share/nwchem/libraries/cc-pvdz-pp-ri
  712. share/nwchem/libraries/cc-pvdz-pp_mp2_fitting
  713. share/nwchem/libraries/cc-pvdz-ri
  714. share/nwchem/libraries/cc-pvdzfi_sf_fw
  715. share/nwchem/libraries/cc-pvdzfi_sf_lc
  716. share/nwchem/libraries/cc-pvdzfi_sf_sc
  717. share/nwchem/libraries/cc-pvdzpt_sf_fw
  718. share/nwchem/libraries/cc-pvdzpt_sf_lc
  719. share/nwchem/libraries/cc-pvdzpt_sf_sc
  720. share/nwchem/libraries/cc-pvdzseg-opt
  721. share/nwchem/libraries/cc-pvq+dz
  722. share/nwchem/libraries/cc-pvq+dz-ri
  723. share/nwchem/libraries/cc-pvqz
  724. share/nwchem/libraries/cc-pvqz-dk
  725. share/nwchem/libraries/cc-pvqz-dk3
  726. share/nwchem/libraries/cc-pvqz-f12
  727. share/nwchem/libraries/cc-pvqz-f12_mp2_fitting
  728. share/nwchem/libraries/cc-pvqz-f12_optri
  729. share/nwchem/libraries/cc-pvqz-nr_mp2_fitting
  730. share/nwchem/libraries/cc-pvqz-pp
  731. share/nwchem/libraries/cc-pvqz-pp-ri
  732. share/nwchem/libraries/cc-pvqz-pp_mp2_fitting
  733. share/nwchem/libraries/cc-pvqz-ri
  734. share/nwchem/libraries/cc-pvqzfi_sf_fw
  735. share/nwchem/libraries/cc-pvqzfi_sf_lc
  736. share/nwchem/libraries/cc-pvqzfi_sf_sc
  737. share/nwchem/libraries/cc-pvqzpt_sf_fw
  738. share/nwchem/libraries/cc-pvqzpt_sf_lc
  739. share/nwchem/libraries/cc-pvqzpt_sf_sc
  740. share/nwchem/libraries/cc-pvqzseg-opt
  741. share/nwchem/libraries/cc-pvt+dz
  742. share/nwchem/libraries/cc-pvt+dz+
  743. share/nwchem/libraries/cc-pvt+dz-dk
  744. share/nwchem/libraries/cc-pvt+dz-ri
  745. share/nwchem/libraries/cc-pvtz
  746. share/nwchem/libraries/cc-pvtz-dk
  747. share/nwchem/libraries/cc-pvtz-dk3
  748. share/nwchem/libraries/cc-pvtz-f12
  749. share/nwchem/libraries/cc-pvtz-f12_mp2_fitting
  750. share/nwchem/libraries/cc-pvtz-f12_optri
  751. share/nwchem/libraries/cc-pvtz-fit2-1
  752. share/nwchem/libraries/cc-pvtz-pp
  753. share/nwchem/libraries/cc-pvtz-pp-ri
  754. share/nwchem/libraries/cc-pvtz-pp_mp2_fitting
  755. share/nwchem/libraries/cc-pvtz-ri
  756. share/nwchem/libraries/cc-pvtz_mp2_fitting
  757. share/nwchem/libraries/cc-pvtzfi_sf_fw
  758. share/nwchem/libraries/cc-pvtzfi_sf_lc
  759. share/nwchem/libraries/cc-pvtzfi_sf_sc
  760. share/nwchem/libraries/cc-pvtzpt_sf_fw
  761. share/nwchem/libraries/cc-pvtzpt_sf_lc
  762. share/nwchem/libraries/cc-pvtzpt_sf_sc
  763. share/nwchem/libraries/cc-pvtzseg-opt
  764. share/nwchem/libraries/cc-pwcv5z
  765. share/nwchem/libraries/cc-pwcv5z-dk
  766. share/nwchem/libraries/cc-pwcv5z-nr
  767. share/nwchem/libraries/cc-pwcv5z-pp
  768. share/nwchem/libraries/cc-pwcv5z-pp_mp2_fitting
  769. share/nwchem/libraries/cc-pwcv5z-ri
  770. share/nwchem/libraries/cc-pwcv5z-ri_tight
  771. share/nwchem/libraries/cc-pwcv5z_core_set
  772. share/nwchem/libraries/cc-pwcv5z_tight
  773. share/nwchem/libraries/cc-pwcvdz
  774. share/nwchem/libraries/cc-pwcvdz-dk3
  775. share/nwchem/libraries/cc-pwcvdz-pp
  776. share/nwchem/libraries/cc-pwcvdz-pp_mp2_fitting
  777. share/nwchem/libraries/cc-pwcvdz-ri
  778. share/nwchem/libraries/cc-pwcvdz-ri_tight
  779. share/nwchem/libraries/cc-pwcvdz_tight
  780. share/nwchem/libraries/cc-pwcvqz
  781. share/nwchem/libraries/cc-pwcvqz-dk
  782. share/nwchem/libraries/cc-pwcvqz-dk3
  783. share/nwchem/libraries/cc-pwcvqz-nr
  784. share/nwchem/libraries/cc-pwcvqz-pp
  785. share/nwchem/libraries/cc-pwcvqz-pp_mp2_fitting
  786. share/nwchem/libraries/cc-pwcvqz-ri
  787. share/nwchem/libraries/cc-pwcvqz-ri_tight
  788. share/nwchem/libraries/cc-pwcvqz_tight
  789. share/nwchem/libraries/cc-pwcvtz
  790. share/nwchem/libraries/cc-pwcvtz-dk
  791. share/nwchem/libraries/cc-pwcvtz-dk3
  792. share/nwchem/libraries/cc-pwcvtz-nr
  793. share/nwchem/libraries/cc-pwcvtz-nr_mp2_fitting
  794. share/nwchem/libraries/cc-pwcvtz-pp
  795. share/nwchem/libraries/cc-pwcvtz-pp_mp2_fitting
  796. share/nwchem/libraries/cc-pwcvtz-ri
  797. share/nwchem/libraries/cc-pwcvtz-ri_tight
  798. share/nwchem/libraries/cc-pwcvtz_tight
  799. share/nwchem/libraries/ccemd-2
  800. share/nwchem/libraries/ccemd-3
  801. share/nwchem/libraries/ccj-pv5z
  802. share/nwchem/libraries/ccj-pvdz
  803. share/nwchem/libraries/ccj-pvqz
  804. share/nwchem/libraries/ccj-pvtz
  805. share/nwchem/libraries/chipman_dzp_+_diffuse
  806. share/nwchem/libraries/coemd-2
  807. share/nwchem/libraries/coemd-3
  808. share/nwchem/libraries/coemd-4
  809. share/nwchem/libraries/coemd-ref
  810. share/nwchem/libraries/cologne_dkh2
  811. share/nwchem/libraries/core_valence_functions_cc-pcv5z
  812. share/nwchem/libraries/core_valence_functions_cc-pcv6z
  813. share/nwchem/libraries/core_valence_functions_cc-pcv6zold
  814. share/nwchem/libraries/core_valence_functions_cc-pcvdz
  815. share/nwchem/libraries/core_valence_functions_cc-pcvdzold
  816. share/nwchem/libraries/core_valence_functions_cc-pcvqz
  817. share/nwchem/libraries/core_valence_functions_cc-pcvqzold
  818. share/nwchem/libraries/core_valence_functions_cc-pcvtz
  819. share/nwchem/libraries/core_valence_functions_cc-pcvtzold
  820. share/nwchem/libraries/crenbl_ecp
  821. share/nwchem/libraries/crenbs_ecp
  822. share/nwchem/libraries/cvtz
  823. share/nwchem/libraries/d-aug-cc-pv5z
  824. share/nwchem/libraries/d-aug-cc-pv5z_diffuse
  825. share/nwchem/libraries/d-aug-cc-pv6z
  826. share/nwchem/libraries/d-aug-cc-pv6z_diffuse
  827. share/nwchem/libraries/d-aug-cc-pvdz
  828. share/nwchem/libraries/d-aug-cc-pvdz_diffuse
  829. share/nwchem/libraries/d-aug-cc-pvqz
  830. share/nwchem/libraries/d-aug-cc-pvqz_diffuse
  831. share/nwchem/libraries/d-aug-cc-pvtz
  832. share/nwchem/libraries/d-aug-cc-pvtz_diffuse
  833. share/nwchem/libraries/def2-ecp
  834. share/nwchem/libraries/def2-qzvp
  835. share/nwchem/libraries/def2-qzvpd
  836. share/nwchem/libraries/def2-qzvpp
  837. share/nwchem/libraries/def2-qzvppd
  838. share/nwchem/libraries/def2-svp
  839. share/nwchem/libraries/def2-svpd
  840. share/nwchem/libraries/def2-tzvp
  841. share/nwchem/libraries/def2-tzvpd
  842. share/nwchem/libraries/def2-tzvpp
  843. share/nwchem/libraries/def2-tzvppd
  844. share/nwchem/libraries/demon_coulomb_fitting
  845. share/nwchem/libraries/dgauss_a1_dft_coulomb_fitting
  846. share/nwchem/libraries/dgauss_a1_dft_exchange_fitting
  847. share/nwchem/libraries/dgauss_a2_dft_coulomb_fitting
  848. share/nwchem/libraries/dgauss_a2_dft_exchange_fitting
  849. share/nwchem/libraries/dhf-ecp
  850. share/nwchem/libraries/dhf-qzvp
  851. share/nwchem/libraries/dhf-qzvpp
  852. share/nwchem/libraries/dhf-svp
  853. share/nwchem/libraries/dhf-tzvp
  854. share/nwchem/libraries/dhf-tzvpp
  855. share/nwchem/libraries/dhms_polarization
  856. share/nwchem/libraries/dunning-hay_diffuse
  857. share/nwchem/libraries/dunning-hay_double_rydberg
  858. share/nwchem/libraries/dunning-hay_rydberg
  859. share/nwchem/libraries/dz_+_double_rydberg_dunning-hay
  860. share/nwchem/libraries/dz_+_rydberg_dunning
  861. share/nwchem/libraries/dz_dunning
  862. share/nwchem/libraries/dzp
  863. share/nwchem/libraries/dzp-dkh
  864. share/nwchem/libraries/dzp_+_diffuse_dunning
  865. share/nwchem/libraries/dzp_+_rydberg_dunning
  866. share/nwchem/libraries/dzp_dunning
  867. share/nwchem/libraries/dzq
  868. share/nwchem/libraries/dzvp2_dft_orbital
  869. share/nwchem/libraries/dzvp_dft_orbital
  870. share/nwchem/libraries/feller_misc._cvdz
  871. share/nwchem/libraries/feller_misc._cvqz
  872. share/nwchem/libraries/feller_misc._cvtz
  873. share/nwchem/libraries/g3largexp
  874. share/nwchem/libraries/g3mp2large
  875. share/nwchem/libraries/g3mp2largexp
  876. share/nwchem/libraries/gamess_pvtz
  877. share/nwchem/libraries/gamess_vtz
  878. share/nwchem/libraries/glendening_polarization
  879. share/nwchem/libraries/hay-wadt_mb_n+1_ecp
  880. share/nwchem/libraries/hay-wadt_vdz_n+1_ecp
  881. share/nwchem/libraries/hay_wadt_n-1_ecp
  882. share/nwchem/libraries/hondo7_polarization
  883. share/nwchem/libraries/huzinaga_polarization
  884. share/nwchem/libraries/iglo-ii
  885. share/nwchem/libraries/iglo-iii
  886. share/nwchem/libraries/jul-cc-pvd+dz
  887. share/nwchem/libraries/jul-cc-pvq+dz
  888. share/nwchem/libraries/jul-cc-pvt+dz
  889. share/nwchem/libraries/jun-cc-pvd+dz
  890. share/nwchem/libraries/jun-cc-pvq+dz
  891. share/nwchem/libraries/jun-cc-pvt+dz
  892. share/nwchem/libraries/lanl08
  893. share/nwchem/libraries/lanl08+
  894. share/nwchem/libraries/lanl08d
  895. share/nwchem/libraries/lanl08f
  896. share/nwchem/libraries/lanl2-10s8p7d3f2g
  897. share/nwchem/libraries/lanl2-5s4p4d2f
  898. share/nwchem/libraries/lanl2-6s4p4d2f
  899. share/nwchem/libraries/lanl2-[10s8p7d3f2g]
  900. share/nwchem/libraries/lanl2-[5s4p4d2f]
  901. share/nwchem/libraries/lanl2-[6s4p4d2f]
  902. share/nwchem/libraries/lanl2dz+1d1f
  903. share/nwchem/libraries/lanl2dz+2s2p2d2f
  904. share/nwchem/libraries/lanl2dz_ecp
  905. share/nwchem/libraries/lanl2dzdp_ecp
  906. share/nwchem/libraries/lanl2dzdp_ecp_polarization
  907. share/nwchem/libraries/lanl2tz
  908. share/nwchem/libraries/lanl2tz+
  909. share/nwchem/libraries/lanl2tzf
  910. share/nwchem/libraries/m6-31g
  911. share/nwchem/libraries/m6-31gs
  912. share/nwchem/libraries/maug-cc-pvd+dz
  913. share/nwchem/libraries/maug-cc-pvdz
  914. share/nwchem/libraries/maug-cc-pvq+dz
  915. share/nwchem/libraries/maug-cc-pvqz
  916. share/nwchem/libraries/maug-cc-pvt+dz
  917. share/nwchem/libraries/maug-cc-pvtz
  918. share/nwchem/libraries/may-cc-pvq+dz
  919. share/nwchem/libraries/may-cc-pvt+dz
  920. share/nwchem/libraries/mclean_chandler_vtz
  921. share/nwchem/libraries/mg3s
  922. share/nwchem/libraries/midi!
  923. share/nwchem/libraries/midi_huzinaga
  924. share/nwchem/libraries/mini_huzinaga
  925. share/nwchem/libraries/mini_scaled
  926. share/nwchem/libraries/minis-bsip1
  927. share/nwchem/libraries/modified_lanl2dz
  928. share/nwchem/libraries/nasa_ames_ano
  929. share/nwchem/libraries/nasa_ames_ano2
  930. share/nwchem/libraries/nasa_ames_cc-pcv5z
  931. share/nwchem/libraries/nasa_ames_cc-pcvqz
  932. share/nwchem/libraries/nasa_ames_cc-pcvtz
  933. share/nwchem/libraries/nasa_ames_cc-pv5z
  934. share/nwchem/libraries/nasa_ames_cc-pvqz
  935. share/nwchem/libraries/nasa_ames_cc-pvtz
  936. share/nwchem/libraries/nlo-v
  937. share/nwchem/libraries/nmr-dkh_tz2p
  938. share/nwchem/libraries/partridge_uncontracted_1
  939. share/nwchem/libraries/partridge_uncontracted_2
  940. share/nwchem/libraries/partridge_uncontracted_3
  941. share/nwchem/libraries/partridge_uncontracted_4
  942. share/nwchem/libraries/pc-0
  943. share/nwchem/libraries/pc-1
  944. share/nwchem/libraries/pc-2
  945. share/nwchem/libraries/pc-3
  946. share/nwchem/libraries/pc-4
  947. share/nwchem/libraries/pcemd-2
  948. share/nwchem/libraries/pcemd-3
  949. share/nwchem/libraries/pcemd-4
  950. share/nwchem/libraries/pcj-0
  951. share/nwchem/libraries/pcj-0_2006
  952. share/nwchem/libraries/pcj-1
  953. share/nwchem/libraries/pcj-1_2006
  954. share/nwchem/libraries/pcj-2
  955. share/nwchem/libraries/pcj-2_2006
  956. share/nwchem/libraries/pcj-3
  957. share/nwchem/libraries/pcj-3_2006
  958. share/nwchem/libraries/pcj-4
  959. share/nwchem/libraries/pcj-4_2006
  960. share/nwchem/libraries/pcs-0
  961. share/nwchem/libraries/pcs-1
  962. share/nwchem/libraries/pcs-2
  963. share/nwchem/libraries/pcs-3
  964. share/nwchem/libraries/pcs-4
  965. share/nwchem/libraries/pcseg-0
  966. share/nwchem/libraries/pcseg-1
  967. share/nwchem/libraries/pcseg-2
  968. share/nwchem/libraries/pcseg-3
  969. share/nwchem/libraries/pcseg-4
  970. share/nwchem/libraries/pcsseg-0
  971. share/nwchem/libraries/pcsseg-1
  972. share/nwchem/libraries/pcsseg-2
  973. share/nwchem/libraries/pcsseg-3
  974. share/nwchem/libraries/pcsseg-4
  975. share/nwchem/libraries/pople-style_diffuse
  976. share/nwchem/libraries/pople_2d_2p_polarization
  977. share/nwchem/libraries/pople_2df_2pd_polarization
  978. share/nwchem/libraries/pople_3df_3pd_polarization
  979. share/nwchem/libraries/psbkjc
  980. share/nwchem/libraries/pt_-_mdzp
  981. share/nwchem/libraries/pv6z
  982. share/nwchem/libraries/pv7z
  983. share/nwchem/libraries/q-aug-cc-pv5z_diffuse
  984. share/nwchem/libraries/q-aug-cc-pv6z_diffuse
  985. share/nwchem/libraries/q-aug-cc-pvdz_diffuse
  986. share/nwchem/libraries/q-aug-cc-pvqz_diffuse
  987. share/nwchem/libraries/q-aug-cc-pvtz_diffuse
  988. share/nwchem/libraries/qmmm_zhang_3-21g_ecp
  989. share/nwchem/libraries/qmmm_zhang_6-31gs_ecp
  990. share/nwchem/libraries/qzp
  991. share/nwchem/libraries/qzp-dkh
  992. share/nwchem/libraries/rel-modelpotentials/modbas.2c
  993. share/nwchem/libraries/rel-modelpotentials/modbas.4c
  994. share/nwchem/libraries/roos-ano-dz
  995. share/nwchem/libraries/roos-ano-tz
  996. share/nwchem/libraries/roos_augmented_double_zeta_ano
  997. share/nwchem/libraries/roos_augmented_triple_zeta_ano
  998. share/nwchem/libraries/s3-21g
  999. share/nwchem/libraries/s3-21gs
  1000. share/nwchem/libraries/s6-31g
  1001. share/nwchem/libraries/s6-31gs
  1002. share/nwchem/libraries/sadlej+
  1003. share/nwchem/libraries/sadlej_pvtz
  1004. share/nwchem/libraries/sarc-dkh
  1005. share/nwchem/libraries/sarc-zora
  1006. share/nwchem/libraries/sarc2-qzv-dkh
  1007. share/nwchem/libraries/sarc2-qzv-dkh_jk
  1008. share/nwchem/libraries/sarc2-qzv-zora
  1009. share/nwchem/libraries/sarc2-qzv-zora_jk
  1010. share/nwchem/libraries/sarc2-qzvp-dkh
  1011. share/nwchem/libraries/sarc2-qzvp-dkh_jk
  1012. share/nwchem/libraries/sarc2-qzvp-zora
  1013. share/nwchem/libraries/sarc2-qzvp-zora_jk
  1014. share/nwchem/libraries/sbkjc_ecp
  1015. share/nwchem/libraries/sbkjc_polarized_p_2d_-_lfk
  1016. share/nwchem/libraries/sbkjc_vdz_ecp
  1017. share/nwchem/libraries/sdb-aug-cc-pvqz
  1018. share/nwchem/libraries/sdb-aug-cc-pvqz_diffuse
  1019. share/nwchem/libraries/sdb-aug-cc-pvtz
  1020. share/nwchem/libraries/sdb-aug-cc-pvtz_diffuse
  1021. share/nwchem/libraries/sdb-cc-pvqz
  1022. share/nwchem/libraries/sdb-cc-pvtz
  1023. share/nwchem/libraries/sdb_rlc_ecp
  1024. share/nwchem/libraries/sto-2g
  1025. share/nwchem/libraries/sto-3g
  1026. share/nwchem/libraries/sto-3gs
  1027. share/nwchem/libraries/sto-3gs_polarization
  1028. share/nwchem/libraries/sto-6g
  1029. share/nwchem/libraries/stuttgart-koeln_mcdhf_rsc_ecp
  1030. share/nwchem/libraries/stuttgart_rlc_ecp
  1031. share/nwchem/libraries/stuttgart_rsc_1997_ecp
  1032. share/nwchem/libraries/stuttgart_rsc_ano_ecp
  1033. share/nwchem/libraries/stuttgart_rsc_ecp
  1034. share/nwchem/libraries/stuttgart_rsc_segmented_ecp
  1035. share/nwchem/libraries/sv_+_double_rydberg_dunning-hay
  1036. share/nwchem/libraries/sv_+_rydberg_dunning-hay
  1037. share/nwchem/libraries/sv_dunning-hay
  1038. share/nwchem/libraries/svp_+_diffuse_+_rydberg
  1039. share/nwchem/libraries/svp_+_diffuse_dunning-hay
  1040. share/nwchem/libraries/svp_+_rydberg_dunning-hay
  1041. share/nwchem/libraries/svp_dunning-hay
  1042. share/nwchem/libraries/t-aug-cc-pv5z_diffuse
  1043. share/nwchem/libraries/t-aug-cc-pv6z_diffuse
  1044. share/nwchem/libraries/t-aug-cc-pvdz_diffuse
  1045. share/nwchem/libraries/t-aug-cc-pvqz_diffuse
  1046. share/nwchem/libraries/t-aug-cc-pvtz_diffuse
  1047. share/nwchem/libraries/tz_dunning
  1048. share/nwchem/libraries/tzp
  1049. share/nwchem/libraries/tzp-dkh
  1050. share/nwchem/libraries/tzvp_dft_orbital
  1051. share/nwchem/libraries/ugbs
  1052. share/nwchem/libraries/un-ccemd-ref
  1053. share/nwchem/libraries/un-pcemd-ref
  1054. share/nwchem/libraries/wachters+f
  1055. share/nwchem/libraries/weigend_coulomb_fitting
  1056. share/nwchem/libraries/wtbs
  1057. share/nwchem/libraries/x2c-coulomb-fitting
  1058. share/nwchem/libraries/x2c-svpall
  1059. share/nwchem/libraries/x2c-svpall-2c
  1060. share/nwchem/libraries/x2c-tzvpall
  1061. share/nwchem/libraries/x2c-tzvpall-2c
  1062. share/nwchem/libraries/x2c-tzvppall
  1063. share/nwchem/libraries/x2c-tzvppall-2c
  1064. share/nwchem/libraries/z3pol
  1065. share/nwchem/libraryps/HGH_LDA/Ag
  1066. share/nwchem/libraryps/HGH_LDA/Al
  1067. share/nwchem/libraryps/HGH_LDA/Ar
  1068. share/nwchem/libraryps/HGH_LDA/As
  1069. share/nwchem/libraryps/HGH_LDA/At
  1070. share/nwchem/libraryps/HGH_LDA/Au
  1071. share/nwchem/libraryps/HGH_LDA/B
  1072. share/nwchem/libraryps/HGH_LDA/Ba
  1073. share/nwchem/libraryps/HGH_LDA/Be
  1074. share/nwchem/libraryps/HGH_LDA/Bi
  1075. share/nwchem/libraryps/HGH_LDA/Br
  1076. share/nwchem/libraryps/HGH_LDA/C
  1077. share/nwchem/libraryps/HGH_LDA/C.bak
  1078. share/nwchem/libraryps/HGH_LDA/Ca
  1079. share/nwchem/libraryps/HGH_LDA/Cd
  1080. share/nwchem/libraryps/HGH_LDA/Ce
  1081. share/nwchem/libraryps/HGH_LDA/Cl
  1082. share/nwchem/libraryps/HGH_LDA/Co
  1083. share/nwchem/libraryps/HGH_LDA/Cr
  1084. share/nwchem/libraryps/HGH_LDA/Cs
  1085. share/nwchem/libraryps/HGH_LDA/Cu
  1086. share/nwchem/libraryps/HGH_LDA/Eu
  1087. share/nwchem/libraryps/HGH_LDA/F
  1088. share/nwchem/libraryps/HGH_LDA/Fe
  1089. share/nwchem/libraryps/HGH_LDA/Ga
  1090. share/nwchem/libraryps/HGH_LDA/Ge
  1091. share/nwchem/libraryps/HGH_LDA/H
  1092. share/nwchem/libraryps/HGH_LDA/He
  1093. share/nwchem/libraryps/HGH_LDA/Hf
  1094. share/nwchem/libraryps/HGH_LDA/Hg
  1095. share/nwchem/libraryps/HGH_LDA/I
  1096. share/nwchem/libraryps/HGH_LDA/In
  1097. share/nwchem/libraryps/HGH_LDA/Ir
  1098. share/nwchem/libraryps/HGH_LDA/K
  1099. share/nwchem/libraryps/HGH_LDA/Kr
  1100. share/nwchem/libraryps/HGH_LDA/La
  1101. share/nwchem/libraryps/HGH_LDA/Li
  1102. share/nwchem/libraryps/HGH_LDA/Lu
  1103. share/nwchem/libraryps/HGH_LDA/Mg
  1104. share/nwchem/libraryps/HGH_LDA/Mn
  1105. share/nwchem/libraryps/HGH_LDA/Mo
  1106. share/nwchem/libraryps/HGH_LDA/N
  1107. share/nwchem/libraryps/HGH_LDA/Na
  1108. share/nwchem/libraryps/HGH_LDA/Nb
  1109. share/nwchem/libraryps/HGH_LDA/Nd
  1110. share/nwchem/libraryps/HGH_LDA/Ne
  1111. share/nwchem/libraryps/HGH_LDA/Ni
  1112. share/nwchem/libraryps/HGH_LDA/O
  1113. share/nwchem/libraryps/HGH_LDA/Os
  1114. share/nwchem/libraryps/HGH_LDA/P
  1115. share/nwchem/libraryps/HGH_LDA/Pb
  1116. share/nwchem/libraryps/HGH_LDA/Pd
  1117. share/nwchem/libraryps/HGH_LDA/Pm
  1118. share/nwchem/libraryps/HGH_LDA/Po
  1119. share/nwchem/libraryps/HGH_LDA/Pr
  1120. share/nwchem/libraryps/HGH_LDA/Pt
  1121. share/nwchem/libraryps/HGH_LDA/Rb
  1122. share/nwchem/libraryps/HGH_LDA/Re
  1123. share/nwchem/libraryps/HGH_LDA/Rh
  1124. share/nwchem/libraryps/HGH_LDA/Rn
  1125. share/nwchem/libraryps/HGH_LDA/Ru
  1126. share/nwchem/libraryps/HGH_LDA/S
  1127. share/nwchem/libraryps/HGH_LDA/Sb
  1128. share/nwchem/libraryps/HGH_LDA/Sc
  1129. share/nwchem/libraryps/HGH_LDA/Se
  1130. share/nwchem/libraryps/HGH_LDA/Si
  1131. share/nwchem/libraryps/HGH_LDA/Sm
  1132. share/nwchem/libraryps/HGH_LDA/Sn
  1133. share/nwchem/libraryps/HGH_LDA/Sr
  1134. share/nwchem/libraryps/HGH_LDA/Ta
  1135. share/nwchem/libraryps/HGH_LDA/Tc
  1136. share/nwchem/libraryps/HGH_LDA/Te
  1137. share/nwchem/libraryps/HGH_LDA/Ti
  1138. share/nwchem/libraryps/HGH_LDA/Tl
  1139. share/nwchem/libraryps/HGH_LDA/V
  1140. share/nwchem/libraryps/HGH_LDA/W
  1141. share/nwchem/libraryps/HGH_LDA/Xe
  1142. share/nwchem/libraryps/HGH_LDA/Y
  1143. share/nwchem/libraryps/HGH_LDA/Zn
  1144. share/nwchem/libraryps/HGH_LDA/Zr
  1145. share/nwchem/libraryps/Spin_Orbit/U
  1146. share/nwchem/libraryps/TETER/Ga
  1147. share/nwchem/libraryps/TETER/N
  1148. share/nwchem/libraryps/TM/Ag
  1149. share/nwchem/libraryps/TM/Al
  1150. share/nwchem/libraryps/TM/Ar
  1151. share/nwchem/libraryps/TM/As
  1152. share/nwchem/libraryps/TM/At
  1153. share/nwchem/libraryps/TM/Au
  1154. share/nwchem/libraryps/TM/B
  1155. share/nwchem/libraryps/TM/Ba
  1156. share/nwchem/libraryps/TM/Be
  1157. share/nwchem/libraryps/TM/Bi
  1158. share/nwchem/libraryps/TM/Br
  1159. share/nwchem/libraryps/TM/C
  1160. share/nwchem/libraryps/TM/Ca
  1161. share/nwchem/libraryps/TM/Cd
  1162. share/nwchem/libraryps/TM/Cl
  1163. share/nwchem/libraryps/TM/Co
  1164. share/nwchem/libraryps/TM/Cr
  1165. share/nwchem/libraryps/TM/Cs
  1166. share/nwchem/libraryps/TM/Cu
  1167. share/nwchem/libraryps/TM/F
  1168. share/nwchem/libraryps/TM/Fe
  1169. share/nwchem/libraryps/TM/Fr
  1170. share/nwchem/libraryps/TM/Ga
  1171. share/nwchem/libraryps/TM/Gd
  1172. share/nwchem/libraryps/TM/Ge
  1173. share/nwchem/libraryps/TM/H
  1174. share/nwchem/libraryps/TM/He
  1175. share/nwchem/libraryps/TM/Hf
  1176. share/nwchem/libraryps/TM/Hg
  1177. share/nwchem/libraryps/TM/I
  1178. share/nwchem/libraryps/TM/In
  1179. share/nwchem/libraryps/TM/Ir
  1180. share/nwchem/libraryps/TM/K
  1181. share/nwchem/libraryps/TM/Kr
  1182. share/nwchem/libraryps/TM/La
  1183. share/nwchem/libraryps/TM/Li
  1184. share/nwchem/libraryps/TM/Mg
  1185. share/nwchem/libraryps/TM/Mn
  1186. share/nwchem/libraryps/TM/Mo
  1187. share/nwchem/libraryps/TM/N
  1188. share/nwchem/libraryps/TM/Na
  1189. share/nwchem/libraryps/TM/Nb
  1190. share/nwchem/libraryps/TM/Ne
  1191. share/nwchem/libraryps/TM/Ni
  1192. share/nwchem/libraryps/TM/O
  1193. share/nwchem/libraryps/TM/Os
  1194. share/nwchem/libraryps/TM/P
  1195. share/nwchem/libraryps/TM/Pb
  1196. share/nwchem/libraryps/TM/Pd
  1197. share/nwchem/libraryps/TM/Po
  1198. share/nwchem/libraryps/TM/Pt
  1199. share/nwchem/libraryps/TM/Pu
  1200. share/nwchem/libraryps/TM/Ra
  1201. share/nwchem/libraryps/TM/Rb
  1202. share/nwchem/libraryps/TM/Re
  1203. share/nwchem/libraryps/TM/Rh
  1204. share/nwchem/libraryps/TM/Rn
  1205. share/nwchem/libraryps/TM/Ru
  1206. share/nwchem/libraryps/TM/S
  1207. share/nwchem/libraryps/TM/Sb
  1208. share/nwchem/libraryps/TM/Sc
  1209. share/nwchem/libraryps/TM/Se
  1210. share/nwchem/libraryps/TM/Si
  1211. share/nwchem/libraryps/TM/Sn
  1212. share/nwchem/libraryps/TM/Sr
  1213. share/nwchem/libraryps/TM/Ta
  1214. share/nwchem/libraryps/TM/Tc
  1215. share/nwchem/libraryps/TM/Te
  1216. share/nwchem/libraryps/TM/Ti
  1217. share/nwchem/libraryps/TM/Tl
  1218. share/nwchem/libraryps/TM/U
  1219. share/nwchem/libraryps/TM/V
  1220. share/nwchem/libraryps/TM/W
  1221. share/nwchem/libraryps/TM/Xe
  1222. share/nwchem/libraryps/TM/Y
  1223. share/nwchem/libraryps/TM/Zn
  1224. share/nwchem/libraryps/TM/Zr
  1225. share/nwchem/libraryps/development_psps/Ac
  1226. share/nwchem/libraryps/development_psps/Ag
  1227. share/nwchem/libraryps/development_psps/Am
  1228. share/nwchem/libraryps/development_psps/Au
  1229. share/nwchem/libraryps/development_psps/Bh
  1230. share/nwchem/libraryps/development_psps/Bk
  1231. share/nwchem/libraryps/development_psps/Ce
  1232. share/nwchem/libraryps/development_psps/Cf
  1233. share/nwchem/libraryps/development_psps/Cm
  1234. share/nwchem/libraryps/development_psps/Cn
  1235. share/nwchem/libraryps/development_psps/Cu
  1236. share/nwchem/libraryps/development_psps/Db
  1237. share/nwchem/libraryps/development_psps/Ds
  1238. share/nwchem/libraryps/development_psps/Dy
  1239. share/nwchem/libraryps/development_psps/Er
  1240. share/nwchem/libraryps/development_psps/Es
  1241. share/nwchem/libraryps/development_psps/Eu
  1242. share/nwchem/libraryps/development_psps/Fe
  1243. share/nwchem/libraryps/development_psps/Fm
  1244. share/nwchem/libraryps/development_psps/Gd
  1245. share/nwchem/libraryps/development_psps/Ho
  1246. share/nwchem/libraryps/development_psps/Hs
  1247. share/nwchem/libraryps/development_psps/La
  1248. share/nwchem/libraryps/development_psps/Lr
  1249. share/nwchem/libraryps/development_psps/Lu
  1250. share/nwchem/libraryps/development_psps/Md
  1251. share/nwchem/libraryps/development_psps/Mt
  1252. share/nwchem/libraryps/development_psps/Nd
  1253. share/nwchem/libraryps/development_psps/No
  1254. share/nwchem/libraryps/development_psps/Np
  1255. share/nwchem/libraryps/development_psps/Pa
  1256. share/nwchem/libraryps/development_psps/Pm
  1257. share/nwchem/libraryps/development_psps/Pr
  1258. share/nwchem/libraryps/development_psps/Pt
  1259. share/nwchem/libraryps/development_psps/Pu
  1260. share/nwchem/libraryps/development_psps/Rf
  1261. share/nwchem/libraryps/development_psps/Rg
  1262. share/nwchem/libraryps/development_psps/Ru
  1263. share/nwchem/libraryps/development_psps/Sg
  1264. share/nwchem/libraryps/development_psps/Sm
  1265. share/nwchem/libraryps/development_psps/Tb
  1266. share/nwchem/libraryps/development_psps/Th
  1267. share/nwchem/libraryps/development_psps/Tm
  1268. share/nwchem/libraryps/development_psps/U
  1269. share/nwchem/libraryps/development_psps/V
  1270. share/nwchem/libraryps/development_psps/Yb
  1271. share/nwchem/libraryps/library1/Al
  1272. share/nwchem/libraryps/library1/As
  1273. share/nwchem/libraryps/library1/Au
  1274. share/nwchem/libraryps/library1/B
  1275. share/nwchem/libraryps/library1/Be
  1276. share/nwchem/libraryps/library1/C
  1277. share/nwchem/libraryps/library1/Cl
  1278. share/nwchem/libraryps/library1/Cu
  1279. share/nwchem/libraryps/library1/Fe
  1280. share/nwchem/libraryps/library1/Ga
  1281. share/nwchem/libraryps/library1/Ge
  1282. share/nwchem/libraryps/library1/H
  1283. share/nwchem/libraryps/library1/K
  1284. share/nwchem/libraryps/library1/Li
  1285. share/nwchem/libraryps/library1/Mg
  1286. share/nwchem/libraryps/library1/N
  1287. share/nwchem/libraryps/library1/Na
  1288. share/nwchem/libraryps/library1/O
  1289. share/nwchem/libraryps/library1/P
  1290. share/nwchem/libraryps/library1/Pb
  1291. share/nwchem/libraryps/library1/Pt
  1292. share/nwchem/libraryps/library1/Ru
  1293. share/nwchem/libraryps/library1/S
  1294. share/nwchem/libraryps/library1/Si
  1295. share/nwchem/libraryps/library1/Sr
  1296. share/nwchem/libraryps/library1/Ti
  1297. share/nwchem/libraryps/library1/Zn
  1298. share/nwchem/libraryps/library2/Al_basis
  1299. share/nwchem/libraryps/library2/C_basis
  1300. share/nwchem/libraryps/library2/Cl_basis
  1301. share/nwchem/libraryps/library2/Fe_basis
  1302. share/nwchem/libraryps/library2/Fe_basis.big
  1303. share/nwchem/libraryps/library2/H_basis
  1304. share/nwchem/libraryps/library2/O_basis
  1305. share/nwchem/libraryps/library2/Sc_basis
  1306. share/nwchem/libraryps/library2/V_basis
  1307. share/nwchem/libraryps/ofpw_default/Al
  1308. share/nwchem/libraryps/ofpw_default/As
  1309. share/nwchem/libraryps/ofpw_default/Ga
  1310. share/nwchem/libraryps/ofpw_default/In
  1311. share/nwchem/libraryps/ofpw_default/Mg
  1312. share/nwchem/libraryps/ofpw_default/P
  1313. share/nwchem/libraryps/ofpw_default/Sb
  1314. share/nwchem/libraryps/ofpw_default/Si
  1315. share/nwchem/libraryps/paw_default/Al
  1316. share/nwchem/libraryps/paw_default/Al.bak
  1317. share/nwchem/libraryps/paw_default/B
  1318. share/nwchem/libraryps/paw_default/C
  1319. share/nwchem/libraryps/paw_default/Ca
  1320. share/nwchem/libraryps/paw_default/Cl
  1321. share/nwchem/libraryps/paw_default/Co
  1322. share/nwchem/libraryps/paw_default/Cr
  1323. share/nwchem/libraryps/paw_default/Cu
  1324. share/nwchem/libraryps/paw_default/Er
  1325. share/nwchem/libraryps/paw_default/F
  1326. share/nwchem/libraryps/paw_default/Fe
  1327. share/nwchem/libraryps/paw_default/H
  1328. share/nwchem/libraryps/paw_default/Mg
  1329. share/nwchem/libraryps/paw_default/Mn
  1330. share/nwchem/libraryps/paw_default/N
  1331. share/nwchem/libraryps/paw_default/Ni
  1332. share/nwchem/libraryps/paw_default/O
  1333. share/nwchem/libraryps/paw_default/S
  1334. share/nwchem/libraryps/paw_default/Sc
  1335. share/nwchem/libraryps/paw_default/Si
  1336. share/nwchem/libraryps/paw_default/Ti
  1337. share/nwchem/libraryps/paw_default/U
  1338. share/nwchem/libraryps/paw_default/V
  1339. share/nwchem/libraryps/paw_default/Zn
  1340. share/nwchem/libraryps/pspw_default/Ag
  1341. share/nwchem/libraryps/pspw_default/Al
  1342. share/nwchem/libraryps/pspw_default/Ar
  1343. share/nwchem/libraryps/pspw_default/As
  1344. share/nwchem/libraryps/pspw_default/At
  1345. share/nwchem/libraryps/pspw_default/Au
  1346. share/nwchem/libraryps/pspw_default/B
  1347. share/nwchem/libraryps/pspw_default/Ba
  1348. share/nwchem/libraryps/pspw_default/Be
  1349. share/nwchem/libraryps/pspw_default/Bi
  1350. share/nwchem/libraryps/pspw_default/Br
  1351. share/nwchem/libraryps/pspw_default/Br.old
  1352. share/nwchem/libraryps/pspw_default/C
  1353. share/nwchem/libraryps/pspw_default/Ca
  1354. share/nwchem/libraryps/pspw_default/Cd
  1355. share/nwchem/libraryps/pspw_default/Cl
  1356. share/nwchem/libraryps/pspw_default/Cm
  1357. share/nwchem/libraryps/pspw_default/Co
  1358. share/nwchem/libraryps/pspw_default/Cr
  1359. share/nwchem/libraryps/pspw_default/Cs
  1360. share/nwchem/libraryps/pspw_default/Cu
  1361. share/nwchem/libraryps/pspw_default/Eu
  1362. share/nwchem/libraryps/pspw_default/Eu.f_in_core
  1363. share/nwchem/libraryps/pspw_default/F
  1364. share/nwchem/libraryps/pspw_default/Fe
  1365. share/nwchem/libraryps/pspw_default/Fr
  1366. share/nwchem/libraryps/pspw_default/Ga
  1367. share/nwchem/libraryps/pspw_default/Ga.withsemicore
  1368. share/nwchem/libraryps/pspw_default/Gd
  1369. share/nwchem/libraryps/pspw_default/Ge
  1370. share/nwchem/libraryps/pspw_default/H
  1371. share/nwchem/libraryps/pspw_default/H^
  1372. share/nwchem/libraryps/pspw_default/He
  1373. share/nwchem/libraryps/pspw_default/Hf
  1374. share/nwchem/libraryps/pspw_default/Hg
  1375. share/nwchem/libraryps/pspw_default/I
  1376. share/nwchem/libraryps/pspw_default/In
  1377. share/nwchem/libraryps/pspw_default/Ir
  1378. share/nwchem/libraryps/pspw_default/K
  1379. share/nwchem/libraryps/pspw_default/Kr
  1380. share/nwchem/libraryps/pspw_default/La
  1381. share/nwchem/libraryps/pspw_default/Li
  1382. share/nwchem/libraryps/pspw_default/Mg
  1383. share/nwchem/libraryps/pspw_default/Mn
  1384. share/nwchem/libraryps/pspw_default/Mo
  1385. share/nwchem/libraryps/pspw_default/N
  1386. share/nwchem/libraryps/pspw_default/N.new
  1387. share/nwchem/libraryps/pspw_default/N.old
  1388. share/nwchem/libraryps/pspw_default/Na
  1389. share/nwchem/libraryps/pspw_default/Nb
  1390. share/nwchem/libraryps/pspw_default/Ne
  1391. share/nwchem/libraryps/pspw_default/Ni
  1392. share/nwchem/libraryps/pspw_default/Np
  1393. share/nwchem/libraryps/pspw_default/O
  1394. share/nwchem/libraryps/pspw_default/O^
  1395. share/nwchem/libraryps/pspw_default/Os
  1396. share/nwchem/libraryps/pspw_default/P
  1397. share/nwchem/libraryps/pspw_default/Pb
  1398. share/nwchem/libraryps/pspw_default/Pb.withd
  1399. share/nwchem/libraryps/pspw_default/Pd
  1400. share/nwchem/libraryps/pspw_default/Po
  1401. share/nwchem/libraryps/pspw_default/Pt
  1402. share/nwchem/libraryps/pspw_default/Pt.old
  1403. share/nwchem/libraryps/pspw_default/Pu
  1404. share/nwchem/libraryps/pspw_default/Pu.old
  1405. share/nwchem/libraryps/pspw_default/Qm
  1406. share/nwchem/libraryps/pspw_default/Qp
  1407. share/nwchem/libraryps/pspw_default/Ra
  1408. share/nwchem/libraryps/pspw_default/Rb
  1409. share/nwchem/libraryps/pspw_default/Re
  1410. share/nwchem/libraryps/pspw_default/Rh
  1411. share/nwchem/libraryps/pspw_default/Rn
  1412. share/nwchem/libraryps/pspw_default/Ru
  1413. share/nwchem/libraryps/pspw_default/S
  1414. share/nwchem/libraryps/pspw_default/Sb
  1415. share/nwchem/libraryps/pspw_default/Sc
  1416. share/nwchem/libraryps/pspw_default/Se
  1417. share/nwchem/libraryps/pspw_default/Si
  1418. share/nwchem/libraryps/pspw_default/Sn
  1419. share/nwchem/libraryps/pspw_default/Sr
  1420. share/nwchem/libraryps/pspw_default/Ta
  1421. share/nwchem/libraryps/pspw_default/Tc
  1422. share/nwchem/libraryps/pspw_default/Te
  1423. share/nwchem/libraryps/pspw_default/Th
  1424. share/nwchem/libraryps/pspw_default/Th.old
  1425. share/nwchem/libraryps/pspw_default/Ti
  1426. share/nwchem/libraryps/pspw_default/Tl
  1427. share/nwchem/libraryps/pspw_default/U
  1428. share/nwchem/libraryps/pspw_default/V
  1429. share/nwchem/libraryps/pspw_default/W
  1430. share/nwchem/libraryps/pspw_default/Xe
  1431. share/nwchem/libraryps/pspw_default/Y
  1432. share/nwchem/libraryps/pspw_default/Zn
  1433. share/nwchem/libraryps/pspw_default/Zn.old
  1434. share/nwchem/libraryps/pspw_default/Zr
  1435. share/nwchem/libraryps/pspw_new/Br
  1436. share/nwchem/libraryps/pspw_new/Cr
  1437. share/nwchem/libraryps/pspw_new/Cu
  1438. share/nwchem/libraryps/pspw_new/Fe
  1439. share/nwchem/libraryps/pspw_new/Mn
  1440. share/nwchem/libraryps/pspw_old/Cr
  1441. share/nwchem/libraryps/pspw_old/Fe
  1442. @owner
  1443. @group
  1444. @mode
Collapse this list.
Dependency lines:
  • nwchem-data>0:science/nwchem-data
To install the port: cd /usr/ports/science/nwchem-data/ && make install clean
To add the package, run one of these commands:
  • pkg install science/nwchem-data
  • pkg install nwchem-data
PKGNAME: nwchem-data
Flavors: there is no flavor information for this port.
distinfo:
Packages (timestamps in pop-ups are UTC):
nwchem-data
ABIlatestquarterly
FreeBSD:11:aarch64-7.0.0
FreeBSD:11:amd647.0.27.0.2
FreeBSD:11:armv6-7.0.0
FreeBSD:11:i3867.0.27.0.2
FreeBSD:11:mips--
FreeBSD:11:mips64-7.0.0
FreeBSD:12:aarch64-7.0.2
FreeBSD:12:amd647.0.27.0.2
FreeBSD:12:armv6-7.0.0
FreeBSD:12:armv7-7.0.0
FreeBSD:12:i3867.0.27.0.2
FreeBSD:12:mips--
FreeBSD:12:mips64-7.0.0
FreeBSD:12:powerpc64-7.0.2
FreeBSD:13:aarch647.0.27.0.2
FreeBSD:13:amd647.0.27.0.2
FreeBSD:13:armv67.0.27.0.2
FreeBSD:13:armv77.0.27.0.2
FreeBSD:13:i3867.0.27.0.2
FreeBSD:13:mips--
FreeBSD:13:mips647.0.27.0.2
FreeBSD:13:powerpc647.0.27.0.2
FreeBSD:14:aarch647.0.2-
FreeBSD:14:amd647.0.2-
FreeBSD:14:armv67.0.2-
FreeBSD:14:armv77.0.2-
FreeBSD:14:i3867.0.2-
FreeBSD:14:mips--
FreeBSD:14:mips647.0.2-
FreeBSD:14:powerpc647.0.2-
 

This port is required by:
for Run
  1. science/nwchem

Configuration Options:
Options name:
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/nwchemgit/nwchem/tar.gz/v7.0.2-release?dummy=/
Collapse this list.

Number of commits found: 6

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
07 Apr 2021 08:09:01
 files touched by this commit commit hash:cf118ccf875508b9a1c570044c93cfcc82bd455c  7.0.2
mat search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
06 Apr 2021 14:31:07
 files touched by this commit commit hash:305f148f482daf30dcf728039d03d019f88344eb  7.0.2
mat search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
14 Oct 2020 08:19:21
Original commit files touched by this commit Revision:552316  7.0.2
yuri search for other commits by this committer
science/nwchem-data: Update 7.0.1 -> 7.0.2

Reported by:	portscout
09 Oct 2020 20:18:57
Original commit files touched by this commit Revision:551817  7.0.1
yuri search for other commits by this committer
science/nwchem-data: Update 7.0.0 -> 7.0.1

Also update WWW.

Reported by:	portscout
07 May 2020 02:54:17
Original commit files touched by this commit Revision:534239  7.0.0
yuri search for other commits by this committer
science/nwchem-data: Update 6.8.1.20190125 -> 7.0.0
26 Jan 2019 22:00:11
Original commit files touched by this commit Revision:491314  6.8.1.20190125
yuri search for other commits by this committer
New port: science/nwchem-data: Data for NWChem, the computational chemistry
software

Split out data from science/nwchem to facilitate flavor creation there.

Number of commits found: 6