eginer d6ed501c91 added a proper test for tc_scf

2023-02-07 13:43:37 +01:00

..

11.tc_scf.bats

added a proper test for tc_scf

2023-02-07 13:43:37 +01:00

combine_lr_tcscf.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

diago_bi_ort_tcfock.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

diis_tcscf.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

EZFIO.cfg

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

fock_3e_bi_ortho_uhf.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

fock_for_right.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

fock_tc_mo_tot.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

fock_tc.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

fock_three_bi_ortho_new_new.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

fock_three_bi_ortho.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

fock_three_utils.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

fock_three.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

integrals_in_r_stuff.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

minimize_tc_angles.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

molden_lr_mos.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

NEED

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

print_angle_tc_orb.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

print_fit_param.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

rh_tcscf_diis.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

rh_tcscf_simple.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

rh_tcscf.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

rotate_tcscf_orbitals.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

routines_rotates.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

tc_petermann_factor.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

tc_scf_dm.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

tc_scf_energy.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

tc_scf_utils.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

tc_scf.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

test_int.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00

test_Ne.sh

added missing bi_ort_ints

2023-02-07 13:27:19 +01:00

three_e_energy_bi_ortho.irp.f

tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh

2023-02-06 19:26:58 +01:00