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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 |
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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 |