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Quantum Package : a programming environment for wave function methods https://quantumpackage.github.io/qp2/
107 Commits 30 Branches 18 Tags 80 MiB
Fortran 89.6%
OCaml 4.4%
Python 2.9%
C 1.6%
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Anthony Scemama 347e918a4a Add print_ci_vector in tools (#11) 
* 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
2019-03-04 10:40:50 -06:00
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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

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