Moved many modules in plugins/local for quicker installation

2024-12-22 12:23:43 +01:00 · 2023-11-07 10:27:34 +01:00 · 2023-11-07 10:27:34 +01:00 · b95c8142a5
commit b95c8142a5
parent 8ceb5734aa
321 changed files with 0 additions and 1 deletions
--- a/plugins/.gitignore
+++ b/plugins/.gitignore
@ -1,2 +1 @@
 *
--- a/plugins/local/ao_many_one_e_ints/NEED
+++ b/plugins/local/ao_many_one_e_ints/NEED
--- a/plugins/local/ao_many_one_e_ints/README.rst
+++ b/plugins/local/ao_many_one_e_ints/README.rst
--- a/plugins/local/ao_many_one_e_ints/ao_erf_gauss.irp.f
+++ b/plugins/local/ao_many_one_e_ints/ao_erf_gauss.irp.f
--- a/plugins/local/ao_many_one_e_ints/ao_erf_gauss_grad.irp.f
+++ b/plugins/local/ao_many_one_e_ints/ao_erf_gauss_grad.irp.f
--- a/plugins/local/ao_many_one_e_ints/ao_gaus_gauss.irp.f
+++ b/plugins/local/ao_many_one_e_ints/ao_gaus_gauss.irp.f
--- a/plugins/local/ao_many_one_e_ints/fit_slat_gauss.irp.f
+++ b/plugins/local/ao_many_one_e_ints/fit_slat_gauss.irp.f
--- a/plugins/local/ao_many_one_e_ints/grad2_jmu_manu.irp.f
+++ b/plugins/local/ao_many_one_e_ints/grad2_jmu_manu.irp.f
--- a/plugins/local/ao_many_one_e_ints/grad2_jmu_modif.irp.f
+++ b/plugins/local/ao_many_one_e_ints/grad2_jmu_modif.irp.f
--- a/plugins/local/ao_many_one_e_ints/grad2_jmu_modif_vect.irp.f
+++ b/plugins/local/ao_many_one_e_ints/grad2_jmu_modif_vect.irp.f
--- a/plugins/local/ao_many_one_e_ints/grad_lapl_jmu_manu.irp.f
+++ b/plugins/local/ao_many_one_e_ints/grad_lapl_jmu_manu.irp.f
--- a/plugins/local/ao_many_one_e_ints/grad_lapl_jmu_modif.irp.f
+++ b/plugins/local/ao_many_one_e_ints/grad_lapl_jmu_modif.irp.f
--- a/plugins/local/ao_many_one_e_ints/grad_related_ints.irp.f
+++ b/plugins/local/ao_many_one_e_ints/grad_related_ints.irp.f
--- a/plugins/local/ao_many_one_e_ints/list_grid.irp.f
+++ b/plugins/local/ao_many_one_e_ints/list_grid.irp.f
--- a/plugins/local/ao_many_one_e_ints/listj1b.irp.f
+++ b/plugins/local/ao_many_one_e_ints/listj1b.irp.f
--- a/plugins/local/ao_many_one_e_ints/listj1b_sorted.irp.f
+++ b/plugins/local/ao_many_one_e_ints/listj1b_sorted.irp.f
--- a/plugins/local/ao_many_one_e_ints/prim_int_erf_gauss.irp.f
+++ b/plugins/local/ao_many_one_e_ints/prim_int_erf_gauss.irp.f
--- a/plugins/local/ao_many_one_e_ints/prim_int_gauss_gauss.irp.f
+++ b/plugins/local/ao_many_one_e_ints/prim_int_gauss_gauss.irp.f
--- a/plugins/local/ao_many_one_e_ints/stg_gauss_int.irp.f
+++ b/plugins/local/ao_many_one_e_ints/stg_gauss_int.irp.f
--- a/plugins/local/ao_many_one_e_ints/taylor_exp.irp.f
+++ b/plugins/local/ao_many_one_e_ints/taylor_exp.irp.f
--- a/plugins/local/ao_many_one_e_ints/xyz_grad_xyz_ao_pol.irp.f
+++ b/plugins/local/ao_many_one_e_ints/xyz_grad_xyz_ao_pol.irp.f
--- a/plugins/local/ao_tc_eff_map/NEED
+++ b/plugins/local/ao_tc_eff_map/NEED
--- a/plugins/local/ao_tc_eff_map/README.rst
+++ b/plugins/local/ao_tc_eff_map/README.rst
--- a/plugins/local/ao_tc_eff_map/compute_ints_eff_pot.irp.f
+++ b/plugins/local/ao_tc_eff_map/compute_ints_eff_pot.irp.f
--- a/plugins/local/ao_tc_eff_map/fit_j.irp.f
+++ b/plugins/local/ao_tc_eff_map/fit_j.irp.f
--- a/plugins/local/ao_tc_eff_map/integrals_eff_pot_in_map_slave.irp.f
+++ b/plugins/local/ao_tc_eff_map/integrals_eff_pot_in_map_slave.irp.f
--- a/plugins/local/ao_tc_eff_map/map_integrals_eff_pot.irp.f
+++ b/plugins/local/ao_tc_eff_map/map_integrals_eff_pot.irp.f
--- a/plugins/local/ao_tc_eff_map/one_e_1bgauss_grad2.irp.f
+++ b/plugins/local/ao_tc_eff_map/one_e_1bgauss_grad2.irp.f
--- a/plugins/local/ao_tc_eff_map/one_e_1bgauss_lap.irp.f
+++ b/plugins/local/ao_tc_eff_map/one_e_1bgauss_lap.irp.f
--- a/plugins/local/ao_tc_eff_map/one_e_1bgauss_nonherm.irp.f
+++ b/plugins/local/ao_tc_eff_map/one_e_1bgauss_nonherm.irp.f
--- a/plugins/local/ao_tc_eff_map/potential.irp.f
+++ b/plugins/local/ao_tc_eff_map/potential.irp.f
--- a/plugins/local/ao_tc_eff_map/providers_ao_eff_pot.irp.f
+++ b/plugins/local/ao_tc_eff_map/providers_ao_eff_pot.irp.f
--- a/plugins/local/ao_tc_eff_map/two_e_1bgauss_j1.irp.f
+++ b/plugins/local/ao_tc_eff_map/two_e_1bgauss_j1.irp.f
--- a/plugins/local/ao_tc_eff_map/two_e_1bgauss_j2.irp.f
+++ b/plugins/local/ao_tc_eff_map/two_e_1bgauss_j2.irp.f
--- a/plugins/local/ao_tc_eff_map/two_e_ints_gauss.irp.f
+++ b/plugins/local/ao_tc_eff_map/two_e_ints_gauss.irp.f
--- a/plugins/local/ao_tc_eff_map/useful_sub.irp.f
+++ b/plugins/local/ao_tc_eff_map/useful_sub.irp.f
--- a/plugins/local/aux_quantities/EZFIO.cfg
+++ b/plugins/local/aux_quantities/EZFIO.cfg
--- a/plugins/local/aux_quantities/NEED
+++ b/plugins/local/aux_quantities/NEED
--- a/plugins/local/aux_quantities/README.rst
+++ b/plugins/local/aux_quantities/README.rst
--- a/plugins/local/basis_correction/51.basis_c.bats
+++ b/plugins/local/basis_correction/51.basis_c.bats
--- a/plugins/local/basis_correction/NEED
+++ b/plugins/local/basis_correction/NEED
--- a/plugins/local/basis_correction/README.rst
+++ b/plugins/local/basis_correction/README.rst
--- a/plugins/local/basis_correction/TODO
+++ b/plugins/local/basis_correction/TODO
--- a/plugins/local/basis_correction/basis_correction.irp.f
+++ b/plugins/local/basis_correction/basis_correction.irp.f
--- a/plugins/local/basis_correction/eff_xi_based_func.irp.f
+++ b/plugins/local/basis_correction/eff_xi_based_func.irp.f
--- a/plugins/local/basis_correction/pbe_on_top.irp.f
+++ b/plugins/local/basis_correction/pbe_on_top.irp.f
--- a/plugins/local/basis_correction/print_routine.irp.f
+++ b/plugins/local/basis_correction/print_routine.irp.f
--- a/plugins/local/basis_correction/print_su_pbe_ot.irp.f
+++ b/plugins/local/basis_correction/print_su_pbe_ot.irp.f
--- a/plugins/local/basis_correction/weak_corr_func.irp.f
+++ b/plugins/local/basis_correction/weak_corr_func.irp.f
--- a/plugins/local/bi_ort_ints/NEED
+++ b/plugins/local/bi_ort_ints/NEED
--- a/plugins/local/bi_ort_ints/README.rst
+++ b/plugins/local/bi_ort_ints/README.rst
--- a/plugins/local/bi_ort_ints/bi_ort_ints.irp.f
+++ b/plugins/local/bi_ort_ints/bi_ort_ints.irp.f
--- a/plugins/local/bi_ort_ints/biorthog_mo_for_h.irp.f
+++ b/plugins/local/bi_ort_ints/biorthog_mo_for_h.irp.f
--- a/plugins/local/bi_ort_ints/no_dressing.irp.f
+++ b/plugins/local/bi_ort_ints/no_dressing.irp.f
--- a/plugins/local/bi_ort_ints/no_dressing_energy.irp.f
+++ b/plugins/local/bi_ort_ints/no_dressing_energy.irp.f
--- a/plugins/local/bi_ort_ints/no_dressing_naive.irp.f
+++ b/plugins/local/bi_ort_ints/no_dressing_naive.irp.f
--- a/plugins/local/bi_ort_ints/one_e_bi_ort.irp.f
+++ b/plugins/local/bi_ort_ints/one_e_bi_ort.irp.f
--- a/plugins/local/bi_ort_ints/semi_num_ints_mo.irp.f
+++ b/plugins/local/bi_ort_ints/semi_num_ints_mo.irp.f
--- a/plugins/local/bi_ort_ints/three_body_ijm.irp.f
+++ b/plugins/local/bi_ort_ints/three_body_ijm.irp.f
--- a/plugins/local/bi_ort_ints/three_body_ijmk.irp.f
+++ b/plugins/local/bi_ort_ints/three_body_ijmk.irp.f
--- a/plugins/local/bi_ort_ints/three_body_ijmk_n4.irp.f
+++ b/plugins/local/bi_ort_ints/three_body_ijmk_n4.irp.f
--- a/plugins/local/bi_ort_ints/three_body_ijmk_old.irp.f
+++ b/plugins/local/bi_ort_ints/three_body_ijmk_old.irp.f
--- a/plugins/local/bi_ort_ints/three_body_ijmkl.irp.f
+++ b/plugins/local/bi_ort_ints/three_body_ijmkl.irp.f
--- a/plugins/local/bi_ort_ints/three_body_ijmkl_old.irp.f
+++ b/plugins/local/bi_ort_ints/three_body_ijmkl_old.irp.f
--- a/plugins/local/bi_ort_ints/three_body_ints_bi_ort.irp.f
+++ b/plugins/local/bi_ort_ints/three_body_ints_bi_ort.irp.f
--- a/plugins/local/bi_ort_ints/total_twoe_pot.irp.f
+++ b/plugins/local/bi_ort_ints/total_twoe_pot.irp.f
--- a/plugins/local/bi_ortho_mos/EZFIO.cfg
+++ b/plugins/local/bi_ortho_mos/EZFIO.cfg
--- a/plugins/local/bi_ortho_mos/NEED
+++ b/plugins/local/bi_ortho_mos/NEED
--- a/plugins/local/bi_ortho_mos/bi_density.irp.f
+++ b/plugins/local/bi_ortho_mos/bi_density.irp.f
--- a/plugins/local/bi_ortho_mos/bi_ort_mos_in_r.irp.f
+++ b/plugins/local/bi_ortho_mos/bi_ort_mos_in_r.irp.f
--- a/plugins/local/bi_ortho_mos/grad_bi_ort_mos_in_r.irp.f
+++ b/plugins/local/bi_ortho_mos/grad_bi_ort_mos_in_r.irp.f
--- a/plugins/local/bi_ortho_mos/mos_rl.irp.f
+++ b/plugins/local/bi_ortho_mos/mos_rl.irp.f
--- a/plugins/local/bi_ortho_mos/overlap.irp.f
+++ b/plugins/local/bi_ortho_mos/overlap.irp.f
--- a/plugins/local/cas_based_on_top/NEED
+++ b/plugins/local/cas_based_on_top/NEED
--- a/plugins/local/cas_based_on_top/README.rst
+++ b/plugins/local/cas_based_on_top/README.rst
--- a/plugins/local/cas_based_on_top/c_i_a_v_mos.irp.f
+++ b/plugins/local/cas_based_on_top/c_i_a_v_mos.irp.f
--- a/plugins/local/cas_based_on_top/cas_based_density.irp.f
+++ b/plugins/local/cas_based_on_top/cas_based_density.irp.f
--- a/plugins/local/cas_based_on_top/cas_based_on_top.irp.f
+++ b/plugins/local/cas_based_on_top/cas_based_on_top.irp.f
--- a/plugins/local/cas_based_on_top/cas_dens_prov.irp.f
+++ b/plugins/local/cas_based_on_top/cas_dens_prov.irp.f
--- a/plugins/local/cas_based_on_top/cas_dens_rout.irp.f
+++ b/plugins/local/cas_based_on_top/cas_dens_rout.irp.f
--- a/plugins/local/cas_based_on_top/cas_one_e_rdm.irp.f
+++ b/plugins/local/cas_based_on_top/cas_one_e_rdm.irp.f
--- a/plugins/local/cas_based_on_top/eff_spin_dens.irp.f
+++ b/plugins/local/cas_based_on_top/eff_spin_dens.irp.f
--- a/plugins/local/cas_based_on_top/example.irp.f
+++ b/plugins/local/cas_based_on_top/example.irp.f
--- a/plugins/local/cas_based_on_top/on_top_cas_prov.irp.f
+++ b/plugins/local/cas_based_on_top/on_top_cas_prov.irp.f
--- a/plugins/local/cas_based_on_top/on_top_cas_rout.irp.f
+++ b/plugins/local/cas_based_on_top/on_top_cas_rout.irp.f
--- a/plugins/local/cas_based_on_top/on_top_grad.irp.f
+++ b/plugins/local/cas_based_on_top/on_top_grad.irp.f
--- a/plugins/local/cas_based_on_top/two_body_dens_rout.irp.f
+++ b/plugins/local/cas_based_on_top/two_body_dens_rout.irp.f
--- a/plugins/local/casscf_tc_bi/NEED
+++ b/plugins/local/casscf_tc_bi/NEED
--- a/plugins/local/casscf_tc_bi/det_manip.irp.f
+++ b/plugins/local/casscf_tc_bi/det_manip.irp.f
--- a/plugins/local/casscf_tc_bi/grad_dm.irp.f
+++ b/plugins/local/casscf_tc_bi/grad_dm.irp.f
--- a/plugins/local/casscf_tc_bi/grad_old.irp.f
+++ b/plugins/local/casscf_tc_bi/grad_old.irp.f
--- a/plugins/local/casscf_tc_bi/gradient.irp.f
+++ b/plugins/local/casscf_tc_bi/gradient.irp.f
--- a/plugins/local/casscf_tc_bi/test_tc_casscf.irp.f
+++ b/plugins/local/casscf_tc_bi/test_tc_casscf.irp.f
--- a/plugins/local/cipsi_tc_bi_ortho/EZFIO.cfg
+++ b/plugins/local/cipsi_tc_bi_ortho/EZFIO.cfg
--- a/plugins/local/cipsi_tc_bi_ortho/NEED
+++ b/plugins/local/cipsi_tc_bi_ortho/NEED
--- a/plugins/local/cipsi_tc_bi_ortho/cipsi.irp.f
+++ b/plugins/local/cipsi_tc_bi_ortho/cipsi.irp.f
--- a/plugins/local/cipsi_tc_bi_ortho/energy.irp.f
+++ b/plugins/local/cipsi_tc_bi_ortho/energy.irp.f
--- a/plugins/local/cipsi_tc_bi_ortho/environment.irp.f
+++ b/plugins/local/cipsi_tc_bi_ortho/environment.irp.f
--- a/plugins/local/cipsi_tc_bi_ortho/fock_diag.irp.f
+++ b/plugins/local/cipsi_tc_bi_ortho/fock_diag.irp.f
--- a/plugins/local/cipsi_tc_bi_ortho/get_d.irp.f
+++ b/plugins/local/cipsi_tc_bi_ortho/get_d.irp.f
--- a/Show More
+++ b/Show More