8 Commits

Author	SHA1	Message	Date
AbdAmmar	29da3b6542	bypass one_e_tr_dm_mo for large mo_num & n_states	2024-05-23 00:45:56 +02:00
AbdAmmar	1a36d974b0	saving lcpq-ampere	2024-04-07 00:43:44 +02:00
Abdallah Ammar	eaab1b8064	few modif for HHG	2024-03-07 07:34:59 +01:00
Anthony Scemama	1b9a75f488	Fixed pseudo-inverse (extrapolations)	2024-02-12 18:19:05 +01:00
Emmanuel Giner LCT	d4b0312414	removed UGLY NON ASCII CHARACTERS	2023-06-29 18:31:48 +02:00
ydamour	46d0a7388b	clean	2023-03-11 23:40:52 +01:00
ydamour	0b728d62e7	update doc	2023-03-11 23:29:02 +01:00
ydamour	b16a6c7d53	add molecular properties	2023-03-11 22:31:57 +01:00