20 Commits

Author	SHA1	Message	Date
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	8da63eeb7d	Removed dependency to cblas	2021-04-28 00:25:50 +02:00
Anthony Scemama	3ccdcff197	Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev	2021-04-23 23:55:55 +02:00
Anthony Scemama	28a501ba17	Removed dependency to cblas.h	2021-04-23 23:55:32 +02:00
Anthony Scemama	9b32fc67ac	Fix gfortran10 problem #153	2021-04-19 23:57:28 +02:00
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	df215c3972	Only singlets use CSF	2021-04-17 01:38:50 +02:00
Anthony Scemama	3c9944225c	Removed useless function	2021-02-26 14:51:10 +01:00
Anthony Scemama	0704eb3091	Merge branch 'dev' into csf	2021-02-17 23:39:22 +01:00
Anthony Scemama	f381225425	Fixes for intel compiler	2021-02-17 15:58:16 +01:00
Anthony Scemama	b87e87b740	First CSF davidson working	2021-02-17 14:59:25 +01:00
Anthony Scemama	554579492b	Added davidson without S2	2021-02-17 00:46:58 +01:00