22 Commits

Author	SHA1	Message	Date
Emiel Slootman	eef7fde6da	all working	2025-01-24 16:57:47 +01:00
Emiel Slootman	e269729c47	working mo gradient forces	2025-01-23 13:08:05 +01:00
Emiel Slootman	bb7342a52e	mo value force working	2025-01-06 15:25:47 +01:00
Anthony Scemama	063de427be	Merge with origin	2024-12-14 22:03:02 +01:00
Emiel Slootman	96306ff7b8	fix bug in ee single	2024-12-14 13:09:48 +01:00
Emiel Slootman	95c0da0d41	Merge branch 'master' of https://github.com/EmielSlootman/qmckl	2024-12-12 11:31:30 +01:00
Emiel Slootman	7a74b657cf	working version	2024-12-12 11:31:21 +01:00
Emiel Slootman	6bae3ed8f9	fix	2024-12-12 10:29:09 +01:00
Emiel Slootman	0ee0040393	cleanup 2	2024-12-12 10:25:34 +01:00
Anthony Scemama	77c4eb9702	Debug flags OK	2024-12-12 10:23:58 +01:00
Emiel Slootman	a5559fc3ba	clean up	2024-12-12 10:23:02 +01:00
Emiel Slootman	563a9e1c12	Merge branch 'master' of https://github.com/EmielSlootman/qmckl	2024-12-12 10:08:38 +01:00
Emiel Slootman	6a26f3ba6c	working jastrow forces	2024-12-12 10:06:54 +01:00
Anthony Scemama	6aa745ed38	Fixed tests	2024-12-11 15:38:16 +01:00
Emiel Slootman	373e3a71b9	Merge branch 'master' of https://github.com/EmielSlootman/qmckl	2024-12-11 14:17:54 +01:00
Emiel Slootman	6a33fbe901	2-body force done	2024-12-11 14:17:33 +01:00
Anthony Scemama	1264a00c7f	Cleaning	2024-12-11 13:05:28 +01:00
Anthony Scemama	9970e68098	FInite diff OK	2024-12-11 12:51:09 +01:00
Emiel Slootman	72e94ea8d6	merge conflict	2024-12-11 11:29:57 +01:00
Emiel Slootman	e8238313a7	force of deriv 2-body	2024-12-11 11:25:30 +01:00
Anthony Scemama	b8fb9ac515	General finite diff function	2024-12-11 11:24:54 +01:00
Emiel Slootman	9007e9d3d0	fix	2024-12-11 09:39:46 +01:00