10 Commits

Author	SHA1	Message	Date
Anthony Scemama	b25489e14c	Fix modifying determinants before mo_label exists	2023-11-27 14:25:05 +01:00
Anthony Scemama	75891f14b7	Linear dependencies cutoff	2020-05-25 11:31:28 +02:00
Anthony Scemama	35e8e70a1f	removed warnings in ocaml	2019-11-19 18:17:50 +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	6148624fe7	Optimized qp_edit -n (#60)	2019-08-21 16:29:23 +02:00
Anthony Scemama	b71579ab43	Moved print_e_components	2019-06-05 16:17:53 +02:00
Anthony Scemama	137c67c9e8	Allow qp_edit to increase n_det	2019-05-27 12:08:51 +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