LCPQ/qp2
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Code Releases Activity
qp2/plugins/local/tc_scf
History
Anthony Scemama 425e7e4ee0
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Changed symetric_fock_tc into symmetric_fock_tc
2024-05-02 16:22:01 +02:00
..
11.tc_scf.bats
fixed the qp_test of tc_scf
2024-03-12 16:52:53 +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
few modif
2024-02-23 23:51:03 +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
Changed symetric_fock_tc into symmetric_fock_tc
2024-05-02 16:22:01 +02:00
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
Boys & Handy Jastrow: OK
2024-02-16 16:45:54 +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
removed STUPID stop in save_tc_natorb
2024-03-08 17:25:48 +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
added the keyword to minimize tc angles at the end of TC SCF
2024-03-15 15:40:18 +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