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* 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
Quantum Package
A programming environment for wave function methods
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Quantum Package : a programming environment for wave function methods
https://quantumpackage.github.io/qp2/
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AGPL-3.0
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80 MiB
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