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11.tc_scf.bats
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fixed the qp_test of tc_scf
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2024-03-12 16:52:53 +01:00 |
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combine_lr_tcscf.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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diago_bi_ort_tcfock.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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diago_vartcfock.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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diis_tcscf.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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EZFIO.cfg
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few modif
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2024-02-23 23:51:03 +01:00 |
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fock_3e_bi_ortho_cs.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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fock_3e_bi_ortho_os.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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fock_3e_bi_ortho_uhf_old.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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fock_3e_bi_ortho_uhf.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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fock_hermit.irp.f
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Changed symetric_fock_tc into symmetric_fock_tc
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2024-05-02 16:22:01 +02:00 |
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fock_tc_mo_tot.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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fock_tc.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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fock_three_bi_ortho.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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fock_three_hermit.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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fock_vartc.irp.f
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new keywords for Jastrow
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2024-01-15 12:05:26 +01:00 |
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integrals_in_r_stuff.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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jast_schmos_90.irp.f
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added some j for plotting
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2024-02-29 18:44:40 +01:00 |
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minimize_tc_angles.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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molden_lr_mos.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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NEED
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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plot_j_schMos.irp.f
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added some j for plotting
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2024-02-29 18:44:40 +01:00 |
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print_fit_param.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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print_tcscf_energy.irp.f
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new keywords for Jastrow
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2024-01-15 12:02:38 +01:00 |
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rh_tcscf_diis.irp.f
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Boys & Handy Jastrow: OK
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2024-02-16 16:45:54 +01:00 |
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rh_tcscf_simple.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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rh_vartcscf_simple.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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rotate_tcscf_orbitals.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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routines_rotates.irp.f
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removed STUPID stop in save_tc_natorb
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2024-03-08 17:25:48 +01:00 |
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tc_petermann_factor.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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tc_scf_dm.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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tc_scf_energy.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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tc_scf.irp.f
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added the keyword to minimize tc angles at the end of TC SCF
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2024-03-15 15:40:18 +01:00 |
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tcscf_energy_naive.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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test_int.irp.f
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new keywords for Jastrow
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2024-01-15 12:05:26 +01:00 |
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three_e_energy_bi_ortho.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
