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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-12 06:33:29 +01:00
Commit Graph

18 Commits

Author SHA1 Message Date
bda8951042 remove print 2022-03-24 16:18:51 +01:00
8a759e6a94 csf remove do while loops 2022-03-24 16:14:31 +01:00
22b28fc774 csf fix segfault 2022-03-22 10:49:39 +01:00
d428b721b2 FIxed bug in CSF 2022-02-04 11:09:33 +01:00
dc42b639af Minor changes 2022-01-28 20:50:10 +01:00
3d3751fc78 Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev 2021-11-29 10:06:43 +01:00
d6542e62a3 Fix floating-point exception 2021-11-17 09:02:26 +01:00
vijay gopal chilkuri
9875c8ce11 Fix for Floating-point exceptio during the calculation of Ncsf 2021-07-28 07:44:08 +02:00
e751901fa8 Renamed lgamma into logabsgamma (lgamma is a Fortran intrinsic) 2021-06-01 10:35:33 +02:00
vijay gopal chilkuri
d584862f09 Remove debug print. 2021-06-01 10:05:18 +05:30
vijay gopal chilkuri
d174a1f7cc Fixed and verfied bug in n_CSF for Benzene singlet. #158 2021-05-31 23:45:05 +05:30
3d03161a78
Merge branch 'dev' into fix_ncsf 2021-05-31 13:22:28 +02:00
32e2afca90 Using Intel IPP for sorting 2021-05-31 01:49:34 +02:00
vijay gopal chilkuri
94a069c2d5 Simplified calculation of n_CSF. #158 2021-05-26 20:11:39 +05:30
848ba6bfce Fixed out of bound 2021-04-17 10:38:13 +02:00
b53bfe5e4c Only singlets work with S2 2021-04-17 02:15:34 +02:00
7d39c58ea9 Fixed get_phase_qp_to_cfg 2021-04-17 02:03:31 +02:00
b87e87b740 First CSF davidson working 2021-02-17 14:59:25 +01:00