18 Commits

Author	SHA1	Message	Date
eginer	c6b50d5f50	found a bug in left-right coefficients in perturbation	2023-08-07 16:39:53 +02:00
AbdAmmar	b39daa53c4	added keywords for r1 grid	2023-07-02 21:49:25 +02:00
AbdAmmar	87b05b798b	clean in PROVIDERS	2023-07-02 15:29:21 +02:00
Abdallah Ammar	ee06ddf85e	free two (3xN_gridxMOxMO) tables in TC-CIPSI	2023-06-08 15:59:14 +02:00
Abdallah Ammar	a791a28523	working on memory footprint	2023-06-04 09:19:34 +02:00
eginer	87090d7397	fixed nuclear repulsion in fci_tc_bi_ortho	2023-05-31 18:11:54 +02:00
eginer	2c1812e5ca	fixed extrpolation energy in fci_tc_bi	2023-05-11 10:42:12 +02:00
Abdallah Ammar	cde3ea6fc1	fixed conf	2023-05-06 20:42:39 +02:00
eginer	0405a71572	added pt2_tc and pt2_tc_cisd	2023-05-01 14:00:04 +02:00
Anthony Scemama	54a88fe4ca	Added JSON to fci_tc_bi	2023-04-24 01:32:05 +02:00
Anthony Scemama	918839fbf6	Added JSON in FCI_TC	2023-04-24 01:22:24 +02:00
eginer	db0c198788	merged with debug-fci-tc	2023-03-16 14:08:57 +01:00
eginer	22fb8c17e2	fixed the bug of misalignement between coefs and determinants in fci_tc_bi_ortho	2023-03-16 14:00:21 +01:00
eginer	d1068047e8	trying to debug some psi_det_generators stuffs in fci_tc_bi	2023-03-15 14:33:10 +01:00
eginer	4e35f9dbf6	does not work	2023-03-15 11:55:03 +01:00
eginer	a284f6f9d8	removed STUPID DAMN BUG in ordering of psi_selectors for TC	2023-03-14 23:49:38 +01:00
eginer	dd4ea54c6c	added test in fci_tc_bi_ortho ... changed names in ezfio functions in ortho_three_e_ints changed names in ezfio functions in ortho_three_e_ints	2023-02-08 15:36:36 +01:00
eginer	b258a2f154	added fci_tc and cipsi_tc_bi_ortho	2023-02-07 17:28:11 +01:00