Anthony Scemama 81bc60eb58 Merge develop-toto and manus (#12) ... * 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		2019-03-06 14:12:55 +01:00
..
.gitignore	Initial commit	2019-01-25 11:39:31 +01:00
cis.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
cisd.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
configure.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
diagonalize_h.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
excited_states.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
fci.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
fcidump.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
four_idx_transform.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
interfaces.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
ks_scf.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
molden.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
natural_orbitals.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
plugins.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
print_e_conv.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
print_wf.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
printing.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
pt2.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
qp_convert_output_to_ezfio.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
qp_create_ezfio_from_xyz.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
qp_edit.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
qp_export_as_tgz.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
qp_plugins.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
qp_reset.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
qp_run.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
qp_set_frozen_core.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
qp_set_mo_class.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
qp_stop.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
qp_update.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
qpsh.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
rs_ks_scf.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
save_natorb.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
save_one_e_dm.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
save_ortho_mos.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
scf.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
write_integrals_erf.1	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00