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mirror of https://gitlab.com/scemama/QCaml.git synced 2024-11-15 10:33:39 +01:00
Commit Graph

23 Commits

Author SHA1 Message Date
5ed5d91a9d Introduced shell pair couples 2018-03-21 17:28:13 +01:00
a50ffd83f8 List of shell pairs 2018-03-20 19:02:58 +01:00
0da6453453 Cleaning 2018-03-20 15:16:24 +01:00
03c5d1d64a Introduced PrimitiveShellPair 2018-03-15 18:31:58 +01:00
99742b85ac AngularMomentum has + and - 2018-03-14 21:58:55 +01:00
c3287c6368 Cleaning ContractedShellPair 2018-03-14 14:39:22 +01:00
786b680f40 ContractedShell has now a hidden type 2018-03-13 18:56:28 +01:00
47a85dec71 CLeaning Zkey 2018-02-25 01:40:12 +01:00
24d2eb7e47 Documentation 2018-02-25 00:53:09 +01:00
8918f49302 Documentation 2018-02-24 23:57:38 +01:00
e1da54cd67 Working on documenation 2018-02-23 18:41:30 +01:00
d7d018b3ea Cleaning 2018-02-23 16:40:35 +01:00
34edda6317 Working {x;y;z;tot} 2018-02-19 17:32:44 +01:00
ade45cd49d A lot of cleaning 2018-02-13 17:36:25 +01:00
365735d111 Working on contraction 2018-02-09 20:18:53 +01:00
eeb4f9f52c Introducing contracted shell pairs 2018-02-07 17:07:05 +01:00
5b4d49773d Documentation 2018-02-06 18:12:19 +01:00
f964e30098 Removed arrays 2018-02-06 17:13:25 +01:00
2877a9d492 Nuclear Integrals OK 2018-02-06 12:02:00 +01:00
db46395e4e Working on Nuc 2018-02-05 23:31:46 +01:00
925cdf693f Working on Nuclear integrals 2018-02-03 23:26:20 +01:00
4a4809fc7e Inserted overlap 2018-01-22 23:19:24 +01:00
ce59acc326 Working on 1e integrals 2018-01-22 15:27:41 +01:00