13 Commits

Author	SHA1	Message	Date
Anthony Scemama	00859876d5	Fixed read/write in qp_edit	2024-03-18 17:53:22 +01:00
Anthony Scemama	a29c67a738	Implemented #322	2024-03-16 15:21:40 +01:00
Anthony Scemama	c44d624ceb	Added Jastrow parameters in EZFIO	2023-09-19 15:26:50 +02:00
Anthony Scemama	46e3faed3c	allow no basis set	2023-05-10 15:05:18 +02:00
Anthony Scemama	d3bb04ec8d	Removed IO READ messages	2023-03-21 15:41:29 +01:00
Anthony Scemama	d3699eed5a	Fix for LIB	2021-05-05 17:56:46 +02:00
Anthony Scemama	dabd9ee96f	Merge branch 'csf' of github.com:QuantumPackage/qp2 into csf	2020-11-20 09:31:25 +01:00
Thomas Applencourt	a6e70c1c5f	Fix space in size for EZFIO.cfg	2020-10-15 11:01:58 -05:00
Anthony Scemama	79f47d024b	First python3 3 working installation	2020-03-17 18:02:29 +01:00
Emmanuel Giner LCT	40239f100c	Merge alors	2019-10-24 13:56:53 +02:00
Anthony Scemama	cebc19a601	Merge Master (#69) ... * Changed native into SSE4.2 in gfortran.cfg * Fixed rm opam_installer * Fix configure * Improving scaling of pt2 with network * Router/dealer in qp_tunnel * Reduced size of qp2.png * Exclude temp files in tar * Introduce NO_CACHE in configure for daily test * Faster determinants in OCaml * We always give max 10k dets in qp_edit. Read-only if more * Fixed save_natorb * Fixing bug in qp_edit * Comments * Biblio (#61) * Biblio (#62) * Update biblio * Update paper * Journal missing in research.bib * Added paper * Fixed Pierre Francois * Checking number of electrons in MOs * Biblio (#64) * Update biblio * Update paper * Journal missing in research.bib * Added paper * Fixed Pierre Francois * 2 papers * Fixed 6-31G and quickstart (#65) * Fixed 6-31 basis sets * Bug in quickstart * Biblio (#66) * Bugfix (#67) * Fixing opam installation * Fixed 6-31 basis sets * Bug in quickstart * Use irpf90 v1.7.6 * Fix IRPF90 Path	2019-10-21 16:45:00 +02:00
Anthony Scemama	09eab3db06	Removed core	2019-03-13 15:49:57 +01:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00