LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2025-01-13 22:36:11 +01:00
Code Issues Releases Wiki Activity
quantum_package/plugins/FOBOCI
History
Anthony Scemama db72510ce4 Python2
2018-05-02 19:52:23 +02:00
..
all_singles_split.irp.f
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
all_singles.irp.f
Revert "Bugs to fix (#50)" (#51)
2017-04-20 08:45:56 +02:00
collect_all_lmct.irp.f
Program FOBO-SCF works
2016-03-14 16:01:55 +01:00
corr_energy_2h2p.irp.f
Merge with Dr. Giner
2016-11-02 21:46:12 +01:00
create_1h_or_1p.irp.f
Revert "Bugs to fix (#50)" (#51)
2017-04-20 08:45:56 +02:00
density_matrix.irp.f
Removed aligns
2017-11-27 10:58:32 +01:00
diag_fock_inactiv_virt.irp.f
Removed aligns
2017-11-27 10:58:32 +01:00
dress_simple.irp.f
Revert "Bugs to fix (#50)" (#51)
2017-04-20 08:45:56 +02:00
EZFIO.cfg
forgotten files
2016-11-02 16:01:01 +01:00
fobo_coupled_ci.irp.f
Add the FOBOCI routines
2016-02-17 17:15:54 +01:00
fobo_diff_dm.irp.f
Add the FOBOCI routines
2016-02-17 17:15:54 +01:00
fobo_scf.irp.f
Revert "Bugs to fix (#50)" (#51)
2017-04-20 08:45:56 +02:00
foboci_lmct_mlct_threshold_old.irp.f
Modifs Manus
2017-10-27 12:20:00 +02:00
foboci_reunion.irp.f
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
generators_restart_save.irp.f
Revert "Bugs to fix (#50)" (#51)
2017-04-20 08:45:56 +02:00
H_apply_dressed_autonom.irp.f
Fixed tests
2016-10-07 19:45:25 +02:00
H_apply.irp.f
Python2
2018-05-02 19:52:23 +02:00
modify_generators.irp.f
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
NEEDED_CHILDREN_MODULES
Revert "Bugs to fix (#50)" (#51)
2017-04-20 08:45:56 +02:00
new_approach.irp.f
Fixed
2017-09-13 09:06:32 +02:00
new_new_approach.irp.f
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
README.rst
Add the FOBOCI routines
2016-02-17 17:15:54 +01:00
routine_new_approach.irp.f
Add the FOBOCI routines
2016-02-17 17:15:54 +01:00
routines_dressing.irp.f
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
routines_foboci.irp.f
Fixed
2017-09-13 09:06:32 +02:00
save_fock_diag_inactiv_virt.irp.f
Add the FOBOCI routines
2016-02-17 17:15:54 +01:00
SC2_1h1p.irp.f
Removed aligns
2017-11-27 10:58:32 +01:00

README.rst 

======
FOBOCI
======

Needed Modules
==============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.
Documentation
=============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.