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quantum_package/plugins/FOBOCI
History
Anthony Scemama 18ff53e063 Improved diagonalization
2016-09-23 14:23:03 +02:00
..
all_singles_split.irp.f
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
all_singles.irp.f
Program FOBO-SCF works
2016-03-14 16:01:55 +01:00
collect_all_lmct.irp.f
Program FOBO-SCF works
2016-03-14 16:01:55 +01:00
corr_energy_2h2p.irp.f
Program FOBO-SCF works
2016-03-14 16:01:55 +01:00
create_1h_or_1p.irp.f
Add the FOBOCI routines
2016-02-17 17:15:54 +01:00
density_matrix.irp.f
Add the FOBOCI routines
2016-02-17 17:15:54 +01:00
diag_fock_inactiv_virt.irp.f
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
dress_simple.irp.f
Optimized ninja
2016-09-23 10:01:26 +02:00
EZFIO.cfg
Program FOBO-SCF works
2016-03-14 16:01:55 +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
Program FOBO-SCF works
2016-03-14 16:01:55 +01:00
foboci_lmct_mlct_threshold_old.irp.f
Program FOBO-SCF works
2016-03-14 16:01:55 +01:00
foboci_reunion.irp.f
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
generators_restart_save.irp.f
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
H_apply_dressed_autonom.irp.f
Extract CAS
2016-04-11 10:39:27 +02:00
H_apply.irp.f
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
hcc_1h1p.irp.f
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
modify_generators.irp.f
FOBO-SCF executable works
2016-03-11 23:27:39 +01:00
NEEDED_CHILDREN_MODULES
Extracting davidson from slater rules
2016-09-20 17:29:02 +02:00
new_approach.irp.f
Program FOBO-SCF works
2016-03-14 16:01:55 +01:00
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
Improved diagonalization
2016-09-23 14:23:03 +02:00
save_fock_diag_inactiv_virt.irp.f
Add the FOBOCI routines
2016-02-17 17:15:54 +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.