18 Commits

Author	SHA1	Message	Date
Anthony Scemama	c4635e9296	Added qmckl_point	2022-01-20 01:50:54 +01:00
Anthony Scemama	53e2e7bb05	All tests pass without trexio	2022-01-06 02:28:13 +01:00
vijay	5a44ce39c2	Merge branch 'master' into wf_det_grad_cof	2021-10-15 07:57:17 +02:00
Anthony Scemama	7538a879fc	Fix documentation	2021-10-14 21:57:28 +02:00
vijay	07033b9b55	Merge branch 'master' into wf_det_grad_cof	2021-10-14 17:20:23 +02:00
v1j4y	705af0b084	Working on local energy. #41	2021-10-11 16:06:23 +02:00
Anthony Scemama	0537b35536	Nucleus in trexio	2021-10-11 12:11:22 +02:00
v1j4y	5a280e877f	removed pointer for type variable. #41	2021-10-06 16:49:21 +02:00
v1j4y	3fa60a3009	Implemented MOs. Needs testing. #32	2021-09-15 18:30:41 +02:00
vijay	61751c307f	Merge branch 'master' into ao_mo_vj	2021-09-15 11:21:21 +02:00
v1j4y	a41c67b94f	Working on qmckl_dgemm.	2021-09-07 16:36:26 +02:00
vijay gopal chilkuri	269f8d33d2	Added template org file for Francois. #25	2021-07-19 15:29:32 +05:30
vijay gopal chilkuri	ad824d0f71	Renamed test file to n2 and fixed a few bugs. #162	2021-07-05 14:37:09 +05:30
Anthony Scemama	1504330500	Added 'N' and 'T' in coord	2021-05-19 00:28:56 +02:00
Anthony Scemama	f2b109e14b	Added nucleus	2021-05-16 01:31:08 +02:00
Anthony Scemama	5c40916bf3	Fixed module depend	2021-05-12 01:51:26 +02:00
Anthony Scemama	d4711206f0	Introduced qmckl.h in org files	2021-05-11 13:57:23 +02:00
Anthony Scemama	c61556ef77	Working on automake	2021-05-11 11:45:49 +02:00