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Anthony Scemama ca4f8ebdca
Fixed energies of non-expected s2 (#9) 
* Moved diag_algorithm in Davdison
2019-02-22 17:59:19 +01:00
bin
Merge branch 'master' of https://github.com/QuantumPackage/qp2
2019-02-11 15:52:59 +01:00
config
Typos
2019-02-08 09:44:16 +01:00
data
Initial commit
2019-01-25 11:39:31 +01:00
docs
Update quickstart.rst
2019-02-21 10:37:04 +01:00
etc
Fixed completion in qp_create
2019-02-11 10:45:16 +01:00
external
Added error messages in davidson slave
2019-01-25 17:02:44 +01:00
include
Initial commit
2019-01-25 11:39:31 +01:00
lib
Added missing gitignore files
2019-01-25 16:40:01 +01:00
man
improved qp_e_conv_fci
2019-02-06 18:22:08 +01:00
ocaml
Fixed energies of non-expected s2 (#9)
2019-02-22 17:59:19 +01:00
plugins
Added missing gitignore files
2019-01-25 16:40:01 +01:00
scripts
Update e_xc_new_func.irp.f
2019-02-21 10:05:57 +01:00
share
Added missing gitignore files
2019-01-25 16:40:01 +01:00
src
Fixed energies of non-expected s2 (#9)
2019-02-22 17:59:19 +01:00
tests
Initial commit
2019-01-25 11:39:31 +01:00
.gitattributes
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.travis.yml
Added external directory
2019-01-25 16:39:19 +01:00
CITATION.cff
Initial commit
2019-01-25 11:39:31 +01:00
configure
Fixed energies of non-expected s2 (#9)
2019-02-22 17:59:19 +01:00
GITHUB.md
README
2019-01-25 16:51:27 +01:00
INSTALL.rst
Merge branch 'develop' into develop-manus
2019-02-21 09:33:21 +01:00
LICENSE
Initial commit
2019-01-25 11:39:31 +01:00
Makefile
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2019-01-25 11:39:31 +01:00
quantum_package.rc
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2019-01-25 11:39:31 +01:00
README.md
Added external directory
2019-01-25 16:39:19 +01:00
REPLACE
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2019-02-04 23:51:09 +01:00
TODO
Merge branch 'develop' into develop-manus
2019-02-21 09:33:21 +01:00

README.md

Quantum Package

A programming environment for wave function methods

QP

Getting started

Build status

  • Master: master build status
  • Development branch : dev build status
  • Documentation [Doc Status

Credits

Description
Quantum Package : a programming environment for wave function methods
https://quantumpackage.github.io/qp2/
cipsiirpf90ocamlpost-hartrpost-hf
Readme AGPL-3.0 Cite this repository 80 MiB
Languages
Fortran 89.6%
OCaml 4.4%
Python 2.9%
C 1.6%
Shell 0.9%
Other 0.5%