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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-12 08:23:39 +01:00
qp2/plugins/local/tc_scf
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