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Quantum Package : a programming environment for wave function methods
https://quantumpackage.github.io/qp2/
81bc60eb58
* 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 |
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| data | ||
| docs | ||
| etc | ||
| external | ||
| include | ||
| lib | ||
| man | ||
| ocaml | ||
| plugins | ||
| scripts | ||
| share | ||
| src | ||
| tests | ||
| .gitattributes | ||
| .gitignore | ||
| .travis.yml | ||
| CITATION.cff | ||
| configure | ||
| GITHUB.md | ||
| INSTALL.rst | ||
| LICENSE | ||
| Makefile | ||
| quantum_package.rc | ||
| README.md | ||
| REPLACE | ||
| TODO | ||
Quantum Package
A programming environment for wave function methods
Getting started
Build status
- Master:
- Development branch :
- Documentation [