13 Commits

Author	SHA1	Message	Date
v1j4y	350067b5b3	S>0 runs. Need to check energy.	2022-06-18 17:31:44 +02:00
v1j4y	e27a2f4f18	Working on S > 0.	2022-06-18 12:24:30 +02:00
v1j4y	da9f676513	Fixed typo.	2022-06-14 11:34:37 +02:00
v1j4y	7e394e4a01	Removed debug print.	2022-06-14 11:32:26 +02:00
v1j4y	8a141ef25c	Removed debug print.	2022-06-14 11:29:16 +02:00
vijay	872ed7f283	Merge branch 'dev' into csf_verified	2022-06-13 16:27:30 +02:00
v1j4y	9b8a1f5a9e	Fixed bug in obtain_I_connected. Now energy is correct for NH cc-pvdz.	2022-06-13 16:21:08 +02:00
v1j4y	a3200652ce	Debugging sigma-vector.	2022-06-06 21:40:53 +02:00
v1j4y	abe662757e	Added bug fixes for open-shell.	2022-06-06 17:27:57 +02:00
v1j4y	e06ab2fd05	Open-Shell CSF: Fix bug in convertCSFtoDetBasis.	2022-06-06 15:23:25 +02:00
v1j4y	9b8ee6dd2d	Open-Shell CSF: Fix bug in build csftree.	2022-06-06 14:08:34 +02:00
v1j4y	4ccaa8f695	Open-Shell CSF: Fix bug in getbftodetfunction.	2022-06-06 13:41:29 +02:00
Anthony Scemama	b87e87b740	First CSF davidson working	2021-02-17 14:59:25 +01:00