mirror of
https://github.com/QuantumPackage/qp2.git
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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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| .. | ||
| .gitignore | ||
| cis.rst | ||
| cisd.rst | ||
| diagonalize_h.rst | ||
| fci.rst | ||
| fcidump.rst | ||
| four_idx_transform.rst | ||
| ks_scf.rst | ||
| molden.rst | ||
| print_e_conv.rst | ||
| print_wf.rst | ||
| pt2.rst | ||
| rs_ks_scf.rst | ||
| save_natorb.rst | ||
| save_one_e_dm.rst | ||
| save_ortho_mos.rst | ||
| scf.rst | ||
| write_integrals_erf.rst | ||