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Author	SHA1	Message	Date
v1j4y	64b30dc10e	Added elec date for en_pot. #41	2021-10-13 18:26:45 +02:00
v1j4y	cff6b8a47a	Added dimension of en_pot in definition. #41	2021-10-13 18:21:59 +02:00
v1j4y	a6e625016c	Added provider to repulsion in e_pot. #41	2021-10-13 18:13:13 +02:00
v1j4y	ca61af7a3d	Added providers for ee_pot and en_pot for e_pot. #41	2021-10-13 18:07:15 +02:00
v1j4y	7bf52f0e01	Fixed provider for potential energy. #41	2021-10-13 18:02:28 +02:00
v1j4y	dcc5f09724	Fixed provider for local_energy. #41	2021-10-13 17:56:33 +02:00
v1j4y	ca5c332d85	Fixed initialization of det_adj and det_value matrices. #41	2021-10-13 16:55:12 +02:00
v1j4y	578bc43268	Fix tests for det_inv_matrix. #41	2021-10-13 16:44:19 +02:00
v1j4y	befc1a75fa	Fix bug in det_inv_matrix dimension. #41	2021-10-13 16:44:00 +02:00
vijay	19b4f93a0b	Merge branch 'master' into wf_det_grad_cof	2021-10-13 16:18:21 +02:00
v1j4y	ecac090e61	Added todo to merge with master. #41	2021-10-13 15:25:27 +02:00
Anthony Scemama	8d190de55a	Merge pull request #27 from PurplePachyderm/master ... Integration of Verificarlo CI	2021-10-13 15:03:50 +02:00
Aurélien Delval	3cf86817f4	Fix merge issue with qmckl_ao.org	2021-10-13 15:01:23 +02:00
Aurélien Delval	c84deac647	Merge branch 'master' into master	2021-10-13 14:11:07 +02:00
Pablo de Oliveira Castro	9c2d01b33d	Typo in orgmode table	2021-10-13 13:19:35 +02:00
Anthony Scemama	bae4692154	Merge pull request #47 from TREX-CoE/sherman-determinant ... Sherman determinant	2021-10-13 12:17:11 +02:00
Pablo Oliveira	1859a2b6d7	Fix indentation	2021-10-13 12:03:18 +02:00
Pablo Oliveira	4f2e8b6d8e	Update determinant in the SM+WB splitting versions	2021-10-13 11:55:20 +02:00
Pablo Oliveira	9ca88679f9	Update determinant in Woodbury 3x3	2021-10-13 10:51:42 +02:00
Pablo Oliveira	94e9b13963	Update determinant in Woodbury 2x2 and fix tests	2021-10-13 10:45:54 +02:00
Pablo Oliveira	b05390a273	Update determinant in qmckl_sherman_morrison	2021-10-13 10:31:24 +02:00
Pablo de Oliveira Castro	7fdc1e8346	Merge branch 'master' into master	2021-10-13 09:32:31 +02:00
v1j4y	1efd6183d5	Fixed dimensions in tests. #41	2021-10-12 19:41:44 +02:00
v1j4y	713be68c2b	Working on tests for determinant. #41	2021-10-12 18:55:34 +02:00
v1j4y	b53b4afeab	Fixed bug in size of mo_index list. #41	2021-10-12 13:21:47 +02:00
v1j4y	2cf5366108	removed fermi_num. #41	2021-10-12 13:08:04 +02:00
v1j4y	8f550ab106	removed print. #41	2021-10-12 12:59:17 +02:00
v1j4y	eff9ed7954	Working on tests for determinants.#41	2021-10-12 12:58:53 +02:00
vijay	201e4e1315	Merge branch 'master' into wf_det_grad_cof	2021-10-12 12:02:24 +02:00
Anthony Scemama	b0fa668c77	Update test-build.yml	2021-10-12 11:25:05 +02:00
vijay	68b136ed43	Merge branch 'master' into wf_det_grad_cof	2021-10-12 08:28:01 +02:00
Anthony Scemama	db59021544	Install HDF5 for trexio	2021-10-12 00:17:14 +02:00
Anthony Scemama	d17b0f88d1	Install trexio in GH actions	2021-10-12 00:15:38 +02:00
vijay	f13d45f82f	Merge branch 'master' into master	2021-10-11 23:31:51 +02:00
v1j4y	5a875cbd2e	Corrected merge. #41	2021-10-11 23:15:11 +02:00
vijay	db7ceaddba	Merge branch 'master' into wf_det_grad_cof	2021-10-11 23:02:09 +02:00
Anthony Scemama	27b17b57eb	Merge pull request #44 from v1j4y/bug_fix_modims ... Bug fix for modims.	2021-10-11 22:43:10 +02:00
v1j4y	7c58d89626	Implemented drift vector. #41	2021-10-11 21:40:54 +02:00
v1j4y	edc6e0a4f6	Added doc for the three energies. #41	2021-10-11 18:48:48 +02:00
v1j4y	1be1317210	Added local energy. #41	2021-10-11 18:39:18 +02:00
v1j4y	131e510291	Removed walk_num from MO dims. #41	2021-10-11 18:32:00 +02:00
v1j4y	faba6a0cdc	Bug fix for modims.	2021-10-11 18:27:58 +02:00
v1j4y	5e67d1a0a2	Done potential energy. #41	2021-10-11 17:47:19 +02:00
v1j4y	9d542238e3	Finished KE. #41	2021-10-11 17:37:25 +02:00
v1j4y	9722f09221	Add org file. #41	2021-10-11 16:12:14 +02:00
v1j4y	705af0b084	Working on local energy. #41	2021-10-11 16:06:23 +02:00
v1j4y	2b54d2bdf6	Added sign for V_en term. #41	2021-10-11 14:10:13 +02:00
v1j4y	88178c5efa	Added electron and nucleus potential. #41	2021-10-11 11:34:42 +02:00
vijay	ccd179397b	Merge branch 'master' into master	2021-10-11 10:07:59 +02:00
v1j4y	2959281a10	Removed qmckl_blas_func header. #41	2021-10-11 10:04:27 +02:00