13 Commits

Author	SHA1	Message	Date
Anthony Scemama	3d3751fc78	Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev	2021-11-29 10:06:43 +01:00
Anthony Scemama	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
Anthony Scemama	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
Anthony Scemama	3d03161a78	Merge branch 'dev' into fix_ncsf	2021-05-31 13:22:28 +02:00
Anthony Scemama	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
Anthony Scemama	848ba6bfce	Fixed out of bound	2021-04-17 10:38:13 +02:00
Anthony Scemama	b53bfe5e4c	Only singlets work with S2	2021-04-17 02:15:34 +02:00
Anthony Scemama	7d39c58ea9	Fixed get_phase_qp_to_cfg	2021-04-17 02:03:31 +02:00
Anthony Scemama	b87e87b740	First CSF davidson working	2021-02-17 14:59:25 +01:00