22 Commits

Author	SHA1	Message	Date
ydamour	547e6e8823	fix csf	2023-01-02 09:28:42 +01:00
Anthony Scemama	4c69fa2010	Fix csf	2022-12-31 12:50:08 +01:00
Anthony Scemama	9ae324001e	Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev	2022-12-23 18:31:55 +01:00
Anthony Scemama	aab67a1517	Fix warning in CSF:	2022-12-23 18:31:45 +01:00
v1j4y	82409885de	Fixed some bugs in generating alphs.	2022-12-19 13:55:20 +01:00
v1j4y	2e0c96fd6b	Fixed bug in calculation of Nsomo_J.	2022-12-16 16:02:00 +01:00
v1j4y	bc69ac42b1	restore dimension of alphsIcfg.	2022-12-16 15:01:13 +01:00
v1j4y	a6e844ad61	Looks like CIS is working.	2022-12-16 13:29:59 +01:00
v1j4y	bb0c3e391c	Fixed act_bitmask.	2022-12-15 18:54:47 +01:00
v1j4y	5622b9790d	Fixed some bugs. Diagonal energy is OK. Some bugs still present.	2022-12-15 17:15:30 +01:00
v1j4y	f291078945	Fixed bug in config CI.	2022-12-10 17:11:19 +01:00
v1j4y	0234e46e1b	Fixed alphalist.	2022-12-04 00:25:15 +01:00
v1j4y	f79ee5faa8	Fixed bugs in p q excitations.	2022-12-02 11:30:05 +01:00
v1j4y	f2f9b9ffd0	Working on csf nint.	2022-11-22 17:56:29 +01:00
v1j4y	347f716294	Working on fixing n_int.	2022-11-03 15:29:57 +01:00
v1j4y	2e9f539827	Fixed some bugs for S>0.	2022-06-20 19:55:44 +02:00
v1j4y	350067b5b3	S>0 runs. Need to check energy.	2022-06-18 17:31:44 +02:00
v1j4y	bb901fcada	Cleaning.	2022-06-17 22:44:34 +02:00
v1j4y	a6859c072b	Working on frozen core for CFG-CI.	2022-06-17 11:05:27 +02:00
v1j4y	c0178a11ea	Working on csf sigma vector verification.	2022-02-04 16:27:06 +01:00
Anthony Scemama	3c9944225c	Removed useless function	2021-02-26 14:51:10 +01:00
Anthony Scemama	554579492b	Added davidson without S2	2021-02-17 00:46:58 +01:00