mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-22 03:23:29 +01:00
Anthony Scemama
cebc19a601
* 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 |
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| .. | ||
| configure.rst | ||
| excited_states.rst | ||
| index.rst | ||
| interfaces.rst | ||
| natural_orbitals.rst | ||
| plugins.rst | ||
| printing.rst | ||
| qp_convert_output_to_ezfio.rst | ||
| qp_create_ezfio.rst | ||
| qp_edit.rst | ||
| qp_export_as_tgz.rst | ||
| qp_plugins.rst | ||
| qp_reset.rst | ||
| qp_run.rst | ||
| qp_set_frozen_core.rst | ||
| qp_set_mo_class.rst | ||
| qp_stop.rst | ||
| qp_tunnel.rst | ||
| qp_update.rst | ||
| qpsh.rst | ||
| quickstart.rst | ||