eginer cfdaf722df added the keyword to minimize tc angles at the end of TC SCF		2024-03-15 15:40:18 +01:00
..
11.tc_scf.bats	fixed the qp_test of tc_scf	2024-03-12 16:52:53 +01:00
combine_lr_tcscf.irp.f
diago_bi_ort_tcfock.irp.f
diago_vartcfock.irp.f
diis_tcscf.irp.f
EZFIO.cfg	few modif	2024-02-23 23:51:03 +01:00
fock_3e_bi_ortho_cs.irp.f
fock_3e_bi_ortho_os.irp.f
fock_3e_bi_ortho_uhf_old.irp.f
fock_3e_bi_ortho_uhf.irp.f
fock_hermit.irp.f
fock_tc_mo_tot.irp.f
fock_tc.irp.f
fock_three_bi_ortho.irp.f
fock_three_hermit.irp.f
fock_vartc.irp.f	new keywords for Jastrow	2024-01-15 12:05:26 +01:00
integrals_in_r_stuff.irp.f
jast_schmos_90.irp.f	added some j for plotting	2024-02-29 18:44:40 +01:00
minimize_tc_angles.irp.f
molden_lr_mos.irp.f
NEED
plot_j_schMos.irp.f	added some j for plotting	2024-02-29 18:44:40 +01:00
print_fit_param.irp.f
print_tcscf_energy.irp.f
rh_tcscf_diis.irp.f	Boys & Handy Jastrow: OK	2024-02-16 16:45:54 +01:00
rh_tcscf_simple.irp.f
rh_vartcscf_simple.irp.f
rotate_tcscf_orbitals.irp.f
routines_rotates.irp.f	removed STUPID stop in save_tc_natorb	2024-03-08 17:25:48 +01:00
tc_petermann_factor.irp.f
tc_scf_dm.irp.f
tc_scf_energy.irp.f
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
test_int.irp.f	new keywords for Jastrow	2024-01-15 12:05:26 +01:00
three_e_energy_bi_ortho.irp.f