12 Commits

Author	SHA1	Message	Date
Anthony Scemama	4b36005ca0	Added vectors and matrices in nucleus	2022-01-23 19:07:27 +01:00
Anthony Scemama	31e3ed9c41	Updated QMCkl for TREXIOv2.0	2022-01-06 18:54:31 +01:00
v1j4y	e2a9f9d7bb	Fixed bug in mo_vgl where ao_vgl was not given as dependency. #41	2021-10-25 18:45:06 +02:00
v1j4y	e80c8d51ed	Added AO Normalization in trexio read. #41	2021-10-25 15:29:08 +02:00
Anthony Scemama	4e36bba278	Fixed distcheck with updated trexio	2021-10-14 10:50:51 +02:00
Anthony Scemama	6afb78429a	Added new test	2021-10-13 10:10:09 +02:00
Anthony Scemama	f43a4ebff8	Reading MOs from TREXIO. Modified MOs API	2021-10-12 00:10:01 +02:00
Anthony Scemama	e620e78938	Basis read from trexio	2021-10-11 23:26:12 +02:00
Anthony Scemama	97e5392f5f	Added 1 function in trexio	2021-10-11 18:15:31 +02:00
Anthony Scemama	5989eaac36	Added some functions for TREXIO basis	2021-10-11 17:35:40 +02:00
Anthony Scemama	0537b35536	Nucleus in trexio	2021-10-11 12:11:22 +02:00
Anthony Scemama	9d67a29122	Read electrons from trexio	2021-10-06 23:34:58 +02:00