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Anthony Scemama 81bc60eb58
Merge develop-toto and manus (#12) 
* Fixed energies of non-expected s2

* Moved diag_algorithm in Davdison

* Fixed travis

* Added print_ci_vector

* Documentation

* Cleaned qp_set_mo_class.ml

* Removed Core in taskserver

* Frozen core for heavy atoms

* Improved molden module

* In sync with manus

* Fixed some of the documentation errors
2019-03-06 14:12:55 +01:00
bin
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
config
Merge develop-toto and manus (#12)
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data
Initial commit
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docs
Merge develop-toto and manus (#12)
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etc
Fixed completion in qp_create
2019-02-11 10:45:16 +01:00
external
Added error messages in davidson slave
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include
Initial commit
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lib
Added missing gitignore files
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man
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
ocaml
Add print_ci_vector in tools (#11)
2019-03-04 10:40:50 -06:00
plugins
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
scripts
Update e_xc_new_func.irp.f
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share
Added missing gitignore files
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src
Merge develop-toto and manus (#12)
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tests
Initial commit
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.gitattributes
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.gitignore
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.travis.yml
Added external directory
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CITATION.cff
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configure
Merge develop-toto and manus (#12)
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GITHUB.md
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INSTALL.rst
Merge branch 'develop' into develop-manus
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LICENSE
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Makefile
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quantum_package.rc
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README.md
Added external directory
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REPLACE
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2019-03-06 14:12:55 +01:00
TODO
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +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%