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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-23 04:43:45 +01:00
QuantumPackage/scripts
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
..
compilation Fix bug when a blank space precedes program 2019-04-01 18:02:34 +02:00
ezfio_interface Merge Master (#69) 2019-10-21 16:45:00 +02:00
functionals/do_not_touch_func Develop (#10) 2019-02-22 19:19:58 +01:00
module Removed install and uninstall from create_executables_list.sh 2019-05-28 15:39:09 +02:00
utility Initial commit 2019-01-25 11:39:31 +01:00
.gitignore Initial commit 2019-01-25 11:39:31 +01:00
generate_h_apply.py removed eqv -> not 2019-05-15 16:13:41 +02:00
hello.py Initial commit 2019-01-25 11:39:31 +01:00
perturbation.py Minor change in Python scripts 2019-03-20 12:43:32 +01:00
remove_trailing_spaces Initial commit 2019-01-25 11:39:31 +01:00
save_current_mos.sh Initial commit 2019-01-25 11:39:31 +01:00