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.rst	Warnings in documentation	2019-01-29 17:09:08 +01:00
cisd.rst	Folder -> directory	2019-01-29 23:10:00 +01:00
diagonalize_h.rst	Folder -> directory	2019-01-29 23:10:00 +01:00
fci.rst	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
fcidump.rst	Folder -> directory	2019-01-29 23:10:00 +01:00
four_idx_transform.rst	Folder -> directory	2019-01-29 23:10:00 +01:00
ks_scf.rst	Included documentation	2019-01-25 14:54:38 +01:00
molden.rst	Merge develop-toto and manus (#12)	2019-03-06 14:12:55 +01:00
print_e_conv.rst	Included documentation	2019-01-25 14:54:38 +01:00
print_wf.rst	Folder -> directory	2019-01-29 23:10:00 +01:00
pt2.rst	Folder -> directory	2019-01-29 23:10:00 +01:00
rs_ks_scf.rst	Included documentation	2019-01-25 14:54:38 +01:00
save_natorb.rst	Folder -> directory	2019-01-29 23:10:00 +01:00
save_one_e_dm.rst	Folder -> directory	2019-01-29 23:10:00 +01:00
save_ortho_mos.rst	Included documentation	2019-01-25 14:54:38 +01:00
scf.rst	Included documentation	2019-01-25 14:54:38 +01:00
write_integrals_erf.rst	Warnings in documentation	2019-01-29 17:09:08 +01:00