LCPQ/qp2
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Code Releases Activity
qp2/plugins/local/tc_scf
History
eginer 36bae4971d added some j for plotting
2024-02-29 18:44:40 +01:00
..
11.tc_scf.bats
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
combine_lr_tcscf.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
diago_bi_ort_tcfock.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
diago_vartcfock.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
diis_tcscf.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
EZFIO.cfg
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
fock_3e_bi_ortho_cs.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
fock_3e_bi_ortho_os.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
fock_3e_bi_ortho_uhf_old.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
fock_3e_bi_ortho_uhf.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
fock_hermit.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
fock_tc_mo_tot.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
fock_tc.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
fock_three_bi_ortho.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
fock_three_hermit.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
fock_vartc.irp.f
new keywords for Jastrow
2024-01-15 12:05:26 +01:00
integrals_in_r_stuff.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
jast_schmos_90.irp.f
added some j for plotting
2024-02-29 18:44:40 +01:00
minimize_tc_angles.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
molden_lr_mos.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
NEED
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
plot_j_schMos.irp.f
added some j for plotting
2024-02-29 18:44:40 +01:00
print_fit_param.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
print_tcscf_energy.irp.f
new keywords for Jastrow
2024-01-15 12:02:38 +01:00
rh_tcscf_diis.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
rh_tcscf_simple.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
rh_vartcscf_simple.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
rotate_tcscf_orbitals.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
routines_rotates.irp.f
added swaping between Left/Right MOs when large angles
2024-02-26 15:33:36 +01:00
tc_petermann_factor.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
tc_scf_dm.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
tc_scf_energy.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
tc_scf.irp.f
new keywords for Jastrow
2024-01-15 12:02:38 +01:00
tcscf_energy_naive.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
test_int.irp.f
new keywords for Jastrow
2024-01-15 12:05:26 +01:00
three_e_energy_bi_ortho.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00