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mirror of https://gitlab.com/scemama/QCaml.git synced 2024-12-22 20:33:36 +01:00
Commit Graph

24 Commits

Author SHA1 Message Date
56e146f790 Open-shell FCI OK 2019-02-26 12:47:23 +01:00
0715f56eaf Corrected ordering 2018-03-22 00:51:34 +01:00
0face5817e More functional 2018-03-22 00:29:14 +01:00
3d7ce23182 Introduced atomic_shell_pair_couples 2018-03-21 18:54:56 +01:00
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
d4e56ef443 Introducing AtomicShellPair.ml 2018-03-20 18:20:40 +01:00
0da6453453 Cleaning 2018-03-20 15:16:24 +01:00
5d73ec5144 ContractedAtomicShell 2018-03-20 14:11:31 +01:00
7cccb60549 ShellPair option 2018-03-15 19:35:10 +01:00
80f00debe8 Documentation 2018-03-15 19:11:59 +01:00
03c5d1d64a Introduced PrimitiveShellPair 2018-03-15 18:31:58 +01:00
cc3ae9b8a3 Pretty printers 2018-03-15 15:25:49 +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
e1da54cd67 Working on documenation 2018-02-23 18:41:30 +01:00
d7d018b3ea Cleaning 2018-02-23 16:40:35 +01:00
fd1b05c4ec Removed TRR 2018-02-23 00:58:54 +01:00
264181ebd1 Accelerated scalar RR 2018-02-12 00:02:12 +01:00
943dfa9935 Optimizations 2018-02-10 03:37:00 +01:00
365735d111 Working on contraction 2018-02-09 20:18:53 +01:00
659a9a3fcf Working on contracted shell pairs 2018-02-08 01:00:54 +01:00
eeb4f9f52c Introducing contracted shell pairs 2018-02-07 17:07:05 +01:00