| .. | | 03-May-2022 | - |
| aobasis/ | H | 18-May-2020 | - | 22,896 | 15,302 |
| arnoldi/ | H | 18-May-2020 | - | 3,141 | 1,774 |
| base/ | H | 18-May-2020 | - | 1,144 | 579 |
| common/ | H | 18-May-2020 | - | 38,871 | 26,455 |
| dbcsrx/ | H | 18-May-2020 | - | 1,161 | 698 |
| emd/ | H | 18-May-2020 | - | 3,629 | 2,645 |
| eri_mme/ | H | 18-May-2020 | - | 4,603 | 2,838 |
| fm/ | H | 18-May-2020 | - | 12,309 | 7,316 |
| grid/ | H | 18-May-2020 | - | 45,474 | 38,888 |
| hfxbase/ | H | 18-May-2020 | - | 182,819 | 160,736 |
| input/ | H | 18-May-2020 | - | 8,612 | 5,935 |
| metadyn_tools/ | H | 18-May-2020 | - | 1,742 | 1,265 |
| minimax/ | H | 18-May-2020 | - | 49,951 | 46,115 |
| motion/ | H | 18-May-2020 | - | 77,255 | 53,058 |
| mpiwrap/ | H | 18-May-2020 | - | 8,702 | 4,958 |
| pw/ | H | 18-May-2020 | - | 43,996 | 30,114 |
| pw_env/ | H | 18-May-2020 | - | 982 | 630 |
| shg_int/ | H | 18-May-2020 | - | 4,027 | 2,757 |
| start/ | H | 18-May-2020 | - | 7,802 | 5,770 |
| subsys/ | H | 18-May-2020 | - | 10,963 | 7,662 |
| swarm/ | H | 18-May-2020 | - | 4,534 | 2,903 |
| tmc/ | H | 18-May-2020 | - | 16,986 | 11,303 |
| xc/ | H | 18-May-2020 | - | 49,836 | 39,803 |
| PACKAGE | H A D | 18-May-2020 | 346 | 8 | 6 |
| README.md | H A D | 18-May-2020 | 173 | 6 | 3 |
| admm_dm_methods.F | H A D | 18-May-2020 | 25.3 KiB | 570 | 382 |
| admm_dm_types.F | H A D | 18-May-2020 | 4.9 KiB | 121 | 68 |
| admm_methods.F | H A D | 18-May-2020 | 118.5 KiB | 2,469 | 1,637 |
| admm_types.F | H A D | 18-May-2020 | 25.8 KiB | 491 | 366 |
| admm_utils.F | H A D | 18-May-2020 | 7.7 KiB | 177 | 104 |
| al_system_types.F | H A D | 18-May-2020 | 5.9 KiB | 142 | 77 |
| almo_scf.F | H A D | 18-May-2020 | 139.1 KiB | 2,903 | 2,096 |
| almo_scf_diis_types.F | H A D | 18-May-2020 | 22.5 KiB | 569 | 333 |
| almo_scf_env_methods.F | H A D | 18-May-2020 | 31.3 KiB | 552 | 342 |
| almo_scf_lbfgs_types.F | H A D | 18-May-2020 | 13 KiB | 331 | 137 |
| almo_scf_methods.F | H A D | 18-May-2020 | 145.7 KiB | 3,472 | 2,041 |
| almo_scf_optimizer.F | H A D | 18-May-2020 | 483.8 KiB | 11,056 | 6,940 |
| almo_scf_qs.F | H A D | 18-May-2020 | 73 KiB | 1,611 | 972 |
| almo_scf_types.F | H A D | 18-May-2020 | 26.4 KiB | 585 | 340 |
| atom.F | H A D | 18-May-2020 | 6.3 KiB | 146 | 91 |
| atom_admm_methods.F | H A D | 18-May-2020 | 25.5 KiB | 470 | 391 |
| atom_basis.F | H A D | 18-May-2020 | 13.3 KiB | 281 | 210 |
| atom_electronic_structure.F | H A D | 18-May-2020 | 33.3 KiB | 795 | 595 |
| atom_energy.F | H A D | 18-May-2020 | 41.2 KiB | 908 | 710 |
| atom_fit.F | H A D | 18-May-2020 | 92.9 KiB | 2,092 | 1,735 |
| atom_grb.F | H A D | 18-May-2020 | 51.3 KiB | 1,254 | 981 |
| atom_kind_orbitals.F | H A D | 18-May-2020 | 53 KiB | 1,343 | 1,114 |
| atom_operators.F | H A D | 18-May-2020 | 51.5 KiB | 1,253 | 997 |
| atom_optimization.F | H A D | 18-May-2020 | 9.6 KiB | 243 | 157 |
| atom_output.F | H A D | 18-May-2020 | 42 KiB | 894 | 692 |
| atom_pseudo.F | H A D | 18-May-2020 | 19.7 KiB | 414 | 315 |
| atom_sgp.F | H A D | 18-May-2020 | 45.5 KiB | 1,184 | 918 |
| atom_types.F | H A D | 18-May-2020 | 118.4 KiB | 3,096 | 2,588 |
| atom_upf.F | H A D | 18-May-2020 | 35.3 KiB | 889 | 708 |
| atom_utils.F | H A D | 18-May-2020 | 113.2 KiB | 2,842 | 2,001 |
| atom_xc.F | H A D | 18-May-2020 | 59.6 KiB | 1,354 | 971 |
| atomic_charges.F | H A D | 18-May-2020 | 9.6 KiB | 229 | 146 |
| atoms_input.F | H A D | 18-May-2020 | 24.1 KiB | 474 | 376 |
| auto_basis.F | H A D | 18-May-2020 | 32.6 KiB | 872 | 687 |
| basis_set_output.F | H A D | 18-May-2020 | 8.7 KiB | 187 | 130 |
| beta_gamma_psi.F | H A D | 18-May-2020 | 77.4 KiB | 2,341 | 1,412 |
| block_p_types.F | H A D | 18-May-2020 | 1.1 KiB | 25 | 7 |
| bse.F | H A D | 18-May-2020 | 25.5 KiB | 651 | 346 |
| bsse.F | H A D | 18-May-2020 | 29.4 KiB | 648 | 431 |
| call_integrate.f90 | H A D | 18-May-2020 | 2.3 KiB | 36 | 35 |
| cell_methods.F | H A D | 18-May-2020 | 25.6 KiB | 558 | 381 |
| colvar_methods.F | H A D | 18-May-2020 | 274.9 KiB | 6,181 | 4,884 |
| colvar_utils.F | H A D | 18-May-2020 | 36 KiB | 796 | 586 |
| commutator_rkinetic.F | H A D | 18-May-2020 | 15.9 KiB | 354 | 212 |
| commutator_rpnl.F | H A D | 18-May-2020 | 53.9 KiB | 927 | 634 |
| constraint.F | H A D | 18-May-2020 | 43.2 KiB | 894 | 628 |
| constraint_3x3.F | H A D | 18-May-2020 | 40.1 KiB | 872 | 594 |
| constraint_4x6.F | H A D | 18-May-2020 | 58 KiB | 1,216 | 921 |
| constraint_clv.F | H A D | 18-May-2020 | 44.9 KiB | 1,019 | 584 |
| constraint_fxd.F | H A D | 18-May-2020 | 23.2 KiB | 553 | 430 |
| constraint_util.F | H A D | 18-May-2020 | 28.7 KiB | 666 | 459 |
| constraint_vsite.F | H A D | 18-May-2020 | 12 KiB | 265 | 160 |
| core_ae.F | H A D | 18-May-2020 | 26.6 KiB | 580 | 391 |
| core_ppl.F | H A D | 18-May-2020 | 36.6 KiB | 815 | 564 |
| core_ppnl.F | H A D | 18-May-2020 | 29.9 KiB | 626 | 436 |
| cp2k_debug.F | H A D | 18-May-2020 | 25.6 KiB | 493 | 407 |
| cp2k_info.F | H A D | 18-May-2020 | 14.3 KiB | 375 | 170 |
| cp_control_types.F | H A D | 18-May-2020 | 59.8 KiB | 1,266 | 819 |
| cp_control_utils.F | H A D | 18-May-2020 | 109.1 KiB | 2,086 | 1,720 |
| cp_dbcsr_cholesky.F | H A D | 18-May-2020 | 14.9 KiB | 384 | 243 |
| cp_dbcsr_cp2k_link.F | H A D | 18-May-2020 | 33.9 KiB | 719 | 546 |
| cp_dbcsr_diag.F | H A D | 18-May-2020 | 12 KiB | 275 | 144 |
| cp_dbcsr_operations.F | H A D | 18-May-2020 | 72.2 KiB | 1,549 | 937 |
| cp_dbcsr_output.F | H A D | 18-May-2020 | 28.9 KiB | 717 | 495 |
| cp_ddapc.F | H A D | 18-May-2020 | 28.2 KiB | 562 | 423 |
| cp_ddapc_forces.F | H A D | 18-May-2020 | 26.9 KiB | 596 | 436 |
| cp_ddapc_methods.F | H A D | 18-May-2020 | 40.9 KiB | 953 | 707 |
| cp_ddapc_types.F | H A D | 18-May-2020 | 22.8 KiB | 477 | 350 |
| cp_ddapc_util.F | H A D | 18-May-2020 | 42.7 KiB | 902 | 695 |
| cp_eri_mme_interface.F | H A D | 18-May-2020 | 40.5 KiB | 863 | 633 |
| cp_external_control.F | H A D | 18-May-2020 | 10.6 KiB | 230 | 143 |
| cp_gemm_interface.F | H A D | 18-May-2020 | 6.7 KiB | 157 | 101 |
| cp_realspace_grid_cube.F | H A D | 18-May-2020 | 6 KiB | 136 | 68 |
| cp_realspace_grid_init.F | H A D | 18-May-2020 | 5 KiB | 100 | 57 |
| cp_subsys_methods.F | H A D | 18-May-2020 | 21 KiB | 408 | 267 |
| cp_symmetry.F | H A D | 18-May-2020 | 8.4 KiB | 189 | 125 |
| cryssym.F | H A D | 18-May-2020 | 22.1 KiB | 579 | 407 |
| csvr_system_types.F | H A D | 18-May-2020 | 7.3 KiB | 165 | 95 |
| csvr_system_utils.F | H A D | 18-May-2020 | 6.6 KiB | 140 | 44 |
| ct_methods.F | H A D | 18-May-2020 | 72 KiB | 1,760 | 1,074 |
| ct_types.F | H A D | 18-May-2020 | 20.7 KiB | 458 | 229 |
| debug_os_integrals.F | H A D | 18-May-2020 | 25.7 KiB | 616 | 440 |
| dft_plus_u.F | H A D | 18-May-2020 | 82.4 KiB | 2,028 | 1,430 |
| distribution_2d_types.F | H A D | 18-May-2020 | 28.8 KiB | 586 | 428 |
| distribution_methods.F | H A D | 18-May-2020 | 64 KiB | 1,398 | 975 |
| dkh_main.F | H A D | 18-May-2020 | 125.5 KiB | 2,814 | 1,195 |
| dm_ls_chebyshev.F | H A D | 18-May-2020 | 19.1 KiB | 400 | 277 |
| dm_ls_scf.F | H A D | 18-May-2020 | 57 KiB | 1,242 | 857 |
| dm_ls_scf_create.F | H A D | 18-May-2020 | 24.3 KiB | 462 | 345 |
| dm_ls_scf_curvy.F | H A D | 18-May-2020 | 39 KiB | 871 | 556 |
| dm_ls_scf_methods.F | H A D | 18-May-2020 | 57.2 KiB | 1,299 | 867 |
| dm_ls_scf_qs.F | H A D | 18-May-2020 | 34.8 KiB | 763 | 512 |
| dm_ls_scf_types.F | H A D | 18-May-2020 | 8.7 KiB | 224 | 156 |
| domain_submatrix_methods.F | H A D | 18-May-2020 | 63.4 KiB | 1,688 | 1,058 |
| domain_submatrix_types.F | H A D | 18-May-2020 | 2.2 KiB | 51 | 25 |
| ec_efield_local.F | H A D | 18-May-2020 | 17 KiB | 379 | 279 |
| ec_env_types.F | H A D | 18-May-2020 | 8.2 KiB | 176 | 114 |
| ec_environment.F | H A D | 18-May-2020 | 11.5 KiB | 235 | 179 |
| efield_tb_methods.F | H A D | 18-May-2020 | 36.8 KiB | 811 | 659 |
| efield_utils.F | H A D | 18-May-2020 | 11.8 KiB | 252 | 180 |
| eip_environment.F | H A D | 18-May-2020 | 11.5 KiB | 255 | 149 |
| eip_environment_types.F | H A D | 18-May-2020 | 24.2 KiB | 498 | 293 |
| eip_silicon.F | H A D | 18-May-2020 | 114.7 KiB | 3,021 | 2,130 |
| embed_environment.F | H A D | 18-May-2020 | 7.7 KiB | 171 | 99 |
| embed_main.F | H A D | 18-May-2020 | 9.2 KiB | 183 | 134 |
| embed_types.F | H A D | 18-May-2020 | 19.4 KiB | 400 | 278 |
| energy_corrections.F | H A D | 18-May-2020 | 91.4 KiB | 1,931 | 1,450 |
| environment.F | H A D | 18-May-2020 | 59.2 KiB | 1,256 | 888 |
| et_coupling.F | H A D | 18-May-2020 | 11.8 KiB | 271 | 198 |
| et_coupling_proj.F | H A D | 18-May-2020 | 81.7 KiB | 2,035 | 1,267 |
| et_coupling_types.F | H A D | 18-May-2020 | 5.6 KiB | 139 | 67 |
| ewald_environment_types.F | H A D | 18-May-2020 | 26.6 KiB | 586 | 405 |
| ewald_methods_tb.F | H A D | 18-May-2020 | 17.7 KiB | 413 | 293 |
| ewald_pw_methods.F | H A D | 18-May-2020 | 8.5 KiB | 191 | 129 |
| ewald_pw_types.F | H A D | 18-May-2020 | 19.1 KiB | 437 | 304 |
| ewald_spline_util.F | H A D | 18-May-2020 | 19.4 KiB | 435 | 302 |
| ewalds.F | H A D | 18-May-2020 | 22 KiB | 477 | 334 |
| ewalds_multipole.F | H A D | 18-May-2020 | 104.1 KiB | 2,191 | 1,653 |
| ewalds_multipole_sr.fypp | H A D | 18-May-2020 | 66.9 KiB | 1,174 | 1,102 |
| exclusion_types.F | H A D | 18-May-2020 | 2.9 KiB | 69 | 35 |
| extended_system_types.F | H A D | 18-May-2020 | 7.6 KiB | 191 | 122 |
| external_potential_methods.F | H A D | 18-May-2020 | 7.1 KiB | 143 | 111 |
| f77_interface.F | H A D | 18-May-2020 | 69 KiB | 1,489 | 967 |
| farming_methods.F | H A D | 18-May-2020 | 14.5 KiB | 320 | 251 |
| farming_types.F | H A D | 18-May-2020 | 6 KiB | 136 | 77 |
| fermi_utils.F | H A D | 18-May-2020 | 17.9 KiB | 471 | 275 |
| fist_efield_methods.F | H A D | 18-May-2020 | 13.2 KiB | 307 | 228 |
| fist_efield_types.F | H A D | 18-May-2020 | 3.5 KiB | 77 | 36 |
| fist_energy_types.F | H A D | 18-May-2020 | 4.1 KiB | 114 | 52 |
| fist_environment.F | H A D | 18-May-2020 | 16.7 KiB | 328 | 232 |
| fist_environment_types.F | H A D | 18-May-2020 | 22.5 KiB | 490 | 331 |
| fist_force.F | H A D | 18-May-2020 | 45.7 KiB | 919 | 761 |
| fist_intra_force.F | H A D | 18-May-2020 | 31.1 KiB | 584 | 473 |
| fist_main.F | H A D | 18-May-2020 | 4.8 KiB | 108 | 51 |
| fist_neighbor_list_control.F | H A D | 18-May-2020 | 15.3 KiB | 314 | 235 |
| fist_neighbor_list_types.F | H A D | 18-May-2020 | 17.4 KiB | 365 | 251 |
| fist_neighbor_lists.F | H A D | 18-May-2020 | 40.6 KiB | 847 | 646 |
| fist_nonbond_env_types.F | H A D | 18-May-2020 | 26.1 KiB | 517 | 350 |
| fist_nonbond_force.F | H A D | 18-May-2020 | 54.8 KiB | 1,102 | 801 |
| fist_pol_scf.F | H A D | 18-May-2020 | 37.4 KiB | 726 | 485 |
| force_env_methods.F | H A D | 18-May-2020 | 111.1 KiB | 2,159 | 1,628 |
| force_env_types.F | H A D | 18-May-2020 | 32.2 KiB | 709 | 470 |
| force_env_utils.F | H A D | 18-May-2020 | 25.8 KiB | 563 | 432 |
| force_field_types.F | H A D | 18-May-2020 | 37.5 KiB | 935 | 755 |
| force_fields.F | H A D | 18-May-2020 | 16.4 KiB | 314 | 201 |
| force_fields_all.F | H A D | 18-May-2020 | 174.8 KiB | 3,486 | 2,857 |
| force_fields_ext.F | H A D | 18-May-2020 | 41.1 KiB | 815 | 637 |
| force_fields_input.F | H A D | 18-May-2020 | 104 KiB | 2,023 | 1,521 |
| force_fields_util.F | H A D | 18-May-2020 | 71.8 KiB | 1,375 | 1,095 |
| fp_methods.F | H A D | 18-May-2020 | 10.1 KiB | 237 | 153 |
| fp_types.F | H A D | 18-May-2020 | 10.2 KiB | 231 | 143 |
| free_energy_types.F | H A D | 18-May-2020 | 8.9 KiB | 193 | 135 |
| generic_os_integrals.F | H A D | 18-May-2020 | 42.3 KiB | 966 | 698 |
| gle_system_types.F | H A D | 18-May-2020 | 9.3 KiB | 256 | 184 |
| global_types.F | H A D | 18-May-2020 | 6.7 KiB | 154 | 78 |
| graphcon.F | H A D | 18-May-2020 | 23.7 KiB | 576 | 354 |
| group_dist_types.F | H A D | 18-May-2020 | 11.7 KiB | 313 | 166 |
| grrm_utils.F | H A D | 18-May-2020 | 5.8 KiB | 144 | 100 |
| hartree_local_methods.F | H A D | 18-May-2020 | 30.6 KiB | 729 | 467 |
| hartree_local_types.F | H A D | 18-May-2020 | 7.6 KiB | 211 | 100 |
| header.F | H A D | 18-May-2020 | 24 KiB | 440 | 309 |
| hfx_admm_utils.F | H A D | 18-May-2020 | 67.4 KiB | 1,407 | 1,094 |
| hfx_communication.F | H A D | 18-May-2020 | 25.3 KiB | 605 | 418 |
| hfx_compression_methods.F | H A D | 18-May-2020 | 23.3 KiB | 461 | 267 |
| hfx_derivatives.F | H A D | 18-May-2020 | 118.2 KiB | 2,378 | 1,696 |
| hfx_energy_potential.F | H A D | 18-May-2020 | 139.8 KiB | 2,970 | 2,136 |
| hfx_get_pmax_val.f90 | H A D | 18-May-2020 | 8.5 KiB | 229 | 203 |
| hfx_helpers.F | H A D | 18-May-2020 | 3.4 KiB | 88 | 41 |
| hfx_libint_interface.F | H A D | 18-May-2020 | 76.2 KiB | 1,952 | 1,603 |
| hfx_load_balance_methods.F | H A D | 18-May-2020 | 116.8 KiB | 2,552 | 1,719 |
| hfx_pair_list_methods.F | H A D | 18-May-2020 | 32.5 KiB | 721 | 534 |
| hfx_ri.F | H A D | 18-May-2020 | 74.6 KiB | 1,597 | 1,188 |
| hfx_screening_methods.F | H A D | 18-May-2020 | 39.1 KiB | 902 | 617 |
| hfx_types.F | H A D | 18-May-2020 | 140.1 KiB | 2,899 | 2,051 |
| hirshfeld_methods.F | H A D | 18-May-2020 | 29.6 KiB | 647 | 487 |
| hirshfeld_types.F | H A D | 18-May-2020 | 9.5 KiB | 225 | 137 |
| input_constants.F | H A D | 18-May-2020 | 63.1 KiB | 1,151 | 862 |
| input_cp2k_almo.F | H A D | 18-May-2020 | 57.1 KiB | 1,027 | 535 |
| input_cp2k_atom.F | H A D | 18-May-2020 | 67 KiB | 1,262 | 969 |
| input_cp2k_atprop.F | H A D | 18-May-2020 | 3.4 KiB | 77 | 43 |
| input_cp2k_binary_restarts.F | H A D | 18-May-2020 | 37.9 KiB | 893 | 674 |
| input_cp2k_check.F | H A D | 18-May-2020 | 65.2 KiB | 1,132 | 911 |
| input_cp2k_colvar.F | H A D | 18-May-2020 | 123.9 KiB | 2,388 | 1,770 |
| input_cp2k_constraints.F | H A D | 18-May-2020 | 37.7 KiB | 731 | 528 |
| input_cp2k_dft.F | H A D | 18-May-2020 | 544.4 KiB | 9,718 | 7,970 |
| input_cp2k_distribution.F | H A D | 18-May-2020 | 6.3 KiB | 118 | 78 |
| input_cp2k_ec.F | H A D | 18-May-2020 | 18.1 KiB | 334 | 253 |
| input_cp2k_eip.F | H A D | 18-May-2020 | 7.4 KiB | 148 | 89 |
| input_cp2k_embed.F | H A D | 18-May-2020 | 11.4 KiB | 211 | 148 |
| input_cp2k_field.F | H A D | 18-May-2020 | 16.3 KiB | 344 | 239 |
| input_cp2k_force_eval.F | H A D | 18-May-2020 | 20 KiB | 386 | 288 |
| input_cp2k_free_energy.F | H A D | 18-May-2020 | 51 KiB | 926 | 718 |
| input_cp2k_global.F | H A D | 18-May-2020 | 42.3 KiB | 696 | 582 |
| input_cp2k_hfx.F | H A D | 18-May-2020 | 33.9 KiB | 681 | 529 |
| input_cp2k_kpoints.F | H A D | 18-May-2020 | 7.7 KiB | 154 | 101 |
| input_cp2k_loc.F | H A D | 18-May-2020 | 26.8 KiB | 485 | 386 |
| input_cp2k_ls.F | H A D | 18-May-2020 | 36.7 KiB | 656 | 521 |
| input_cp2k_mixed.F | H A D | 18-May-2020 | 39.6 KiB | 647 | 518 |
| input_cp2k_mm.F | H A D | 18-May-2020 | 133.3 KiB | 2,546 | 1,941 |
| input_cp2k_motion_print.F | H A D | 18-May-2020 | 19.8 KiB | 329 | 257 |
| input_cp2k_mp2.F | H A D | 18-May-2020 | 83.5 KiB | 1,622 | 1,284 |
| input_cp2k_neb.F | H A D | 18-May-2020 | 27.2 KiB | 504 | 402 |
| input_cp2k_negf.F | H A D | 18-May-2020 | 20.4 KiB | 400 | 286 |
| input_cp2k_poisson.F | H A D | 18-May-2020 | 72.8 KiB | 1,322 | 1,016 |
| input_cp2k_properties_dft.F | H A D | 18-May-2020 | 80.4 KiB | 1,512 | 1,159 |
| input_cp2k_pwdft.F | H A D | 18-May-2020 | 16.9 KiB | 359 | 252 |
| input_cp2k_qmmm.F | H A D | 18-May-2020 | 77.7 KiB | 1,385 | 1,076 |
| input_cp2k_read.F | H A D | 18-May-2020 | 3.8 KiB | 79 | 43 |
| input_cp2k_resp.F | H A D | 18-May-2020 | 31.2 KiB | 552 | 425 |
| input_cp2k_restarts_util.F | H A D | 18-May-2020 | 4.8 KiB | 120 | 82 |
| input_cp2k_rsgrid.F | H A D | 18-May-2020 | 5.9 KiB | 113 | 76 |
| input_cp2k_subsys.F | H A D | 18-May-2020 | 132.1 KiB | 2,448 | 1,914 |
| input_cp2k_tb.F | H A D | 18-May-2020 | 22.9 KiB | 441 | 327 |
| input_cp2k_thermostats.F | H A D | 18-May-2020 | 43.4 KiB | 851 | 586 |
| input_cp2k_transport.F | H A D | 18-May-2020 | 28.4 KiB | 527 | 403 |
| input_cp2k_xc.F | H A D | 18-May-2020 | 79 KiB | 1,387 | 1,213 |
| input_optimize_basis.F | H A D | 18-May-2020 | 22.4 KiB | 417 | 308 |
| input_optimize_input.F | H A D | 18-May-2020 | 13.6 KiB | 270 | 201 |
| input_restart_force_eval.F | H A D | 18-May-2020 | 39.6 KiB | 884 | 673 |
| input_restart_rng.F | H A D | 18-May-2020 | 4.2 KiB | 117 | 72 |
| integration_grid_types.F | H A D | 18-May-2020 | 7.5 KiB | 180 | 104 |
| ipi_driver.F | H A D | 18-May-2020 | 19.8 KiB | 510 | 322 |
| iterate_matrix.F | H A D | 18-May-2020 | 84.1 KiB | 2,048 | 1,295 |
| kg_correction.F | H A D | 18-May-2020 | 36.7 KiB | 806 | 569 |
| kg_environment.F | H A D | 18-May-2020 | 30.9 KiB | 749 | 490 |
| kg_environment_types.F | H A D | 18-May-2020 | 8.6 KiB | 185 | 108 |
| kg_tnadd_mat.F | H A D | 18-May-2020 | 23 KiB | 505 | 362 |
| kg_vertex_coloring_methods.F | H A D | 18-May-2020 | 25.3 KiB | 711 | 433 |
| kpoint_coulomb_2c.F | H A D | 18-May-2020 | 24.7 KiB | 665 | 377 |
| kpoint_io.F | H A D | 18-May-2020 | 20.1 KiB | 495 | 338 |
| kpoint_methods.F | H A D | 18-May-2020 | 57.6 KiB | 1,367 | 1,044 |
| kpoint_transitional.F | H A D | 18-May-2020 | 5.2 KiB | 130 | 63 |
| kpoint_types.F | H A D | 18-May-2020 | 38.1 KiB | 844 | 532 |
| libint_2c_3c.F | H A D | 18-May-2020 | 25.4 KiB | 590 | 365 |
| libint_wrapper.F | H A D | 18-May-2020 | 20.3 KiB | 609 | 369 |
| library_tests.F | H A D | 18-May-2020 | 64.9 KiB | 1,504 | 1,127 |
| linesearch.F | H A D | 18-May-2020 | 31.1 KiB | 741 | 537 |
| localization_tb.F | H A D | 18-May-2020 | 11.5 KiB | 231 | 176 |
| lri_compression.F | H A D | 18-May-2020 | 6.1 KiB | 180 | 119 |
| lri_environment_init.F | H A D | 18-May-2020 | 27.7 KiB | 605 | 462 |
| lri_environment_methods.F | H A D | 18-May-2020 | 60.6 KiB | 1,340 | 946 |
| lri_environment_types.F | H A D | 18-May-2020 | 63.5 KiB | 1,464 | 1,042 |
| lri_forces.F | H A D | 18-May-2020 | 38.5 KiB | 856 | 573 |
| lri_integrals.F | H A D | 18-May-2020 | 32.5 KiB | 704 | 464 |
| lri_ks_methods.F | H A D | 18-May-2020 | 15.8 KiB | 369 | 264 |
| lri_optimize_ri_basis.F | H A D | 18-May-2020 | 46.9 KiB | 1,061 | 721 |
| lri_optimize_ri_basis_types.F | H A D | 18-May-2020 | 10.4 KiB | 247 | 157 |
| ls_matrix_exp.F | H A D | 18-May-2020 | 21.3 KiB | 518 | 332 |
| manybody_eam.F | H A D | 18-May-2020 | 11.4 KiB | 271 | 188 |
| manybody_potential.F | H A D | 18-May-2020 | 33.7 KiB | 663 | 553 |
| manybody_quip.F | H A D | 18-May-2020 | 9.1 KiB | 227 | 164 |
| manybody_siepmann.F | H A D | 18-May-2020 | 40.5 KiB | 895 | 600 |
| manybody_tersoff.F | H A D | 18-May-2020 | 37.3 KiB | 849 | 531 |
| mao_basis.F | H A D | 18-May-2020 | 12.3 KiB | 285 | 204 |
| mao_methods.F | H A D | 18-May-2020 | 35.8 KiB | 806 | 583 |
| mao_optimizer.F | H A D | 18-May-2020 | 10.1 KiB | 203 | 152 |
| mao_types.F | H A D | 18-May-2020 | 2.6 KiB | 69 | 23 |
| mao_wfn_analysis.F | H A D | 18-May-2020 | 43.3 KiB | 871 | 733 |
| matrix_exp.F | H A D | 18-May-2020 | 41.9 KiB | 980 | 732 |
| mdctrl_types.F | H A D | 18-May-2020 | 1.7 KiB | 40 | 17 |
| metadynamics.F | H A D | 18-May-2020 | 47.4 KiB | 1,071 | 780 |
| metadynamics_types.F | H A D | 18-May-2020 | 15.5 KiB | 347 | 228 |
| metadynamics_utils.F | H A D | 18-May-2020 | 49.2 KiB | 969 | 757 |
| minbas_methods.F | H A D | 18-May-2020 | 17.3 KiB | 376 | 289 |
| minbas_wfn_analysis.F | H A D | 18-May-2020 | 30 KiB | 584 | 471 |
| mixed_cdft_methods.F | H A D | 18-May-2020 | 239.2 KiB | 4,263 | 3,776 |
| mixed_cdft_types.F | H A D | 18-May-2020 | 35 KiB | 660 | 414 |
| mixed_cdft_utils.F | H A D | 18-May-2020 | 108.8 KiB | 1,996 | 1,679 |
| mixed_energy_types.F | H A D | 18-May-2020 | 3.7 KiB | 97 | 44 |
| mixed_environment.F | H A D | 18-May-2020 | 8 KiB | 179 | 104 |
| mixed_environment_types.F | H A D | 18-May-2020 | 19.5 KiB | 413 | 287 |
| mixed_environment_utils.F | H A D | 18-May-2020 | 12.1 KiB | 242 | 168 |
| mixed_main.F | H A D | 18-May-2020 | 9.2 KiB | 182 | 133 |
| mm_collocate_potential.F | H A D | 18-May-2020 | 12.8 KiB | 285 | 204 |
| mm_mapping_library.F | H A D | 18-May-2020 | 8.3 KiB | 165 | 100 |
| mod.header | H A D | 18-May-2020 | 656 | 15 | 13 |
| mode_selective.F | H A D | 18-May-2020 | 57.6 KiB | 1,357 | 1,085 |
| mol_force.F | H A D | 18-May-2020 | 28.4 KiB | 706 | 378 |
| molden_utils.F | H A D | 18-May-2020 | 23.2 KiB | 491 | 338 |
| molecular_dipoles.F | H A D | 18-May-2020 | 12.4 KiB | 242 | 187 |
| molecular_moments.F | H A D | 18-May-2020 | 14 KiB | 282 | 228 |
| molecular_states.F | H A D | 18-May-2020 | 17.2 KiB | 374 | 272 |
| molsym.F | H A D | 18-May-2020 | 69.5 KiB | 1,800 | 1,041 |
| moments_utils.F | H A D | 18-May-2020 | 8.9 KiB | 197 | 153 |
| motion_utils.F | H A D | 18-May-2020 | 30 KiB | 635 | 482 |
| mp2.F | H A D | 18-May-2020 | 88.5 KiB | 2,059 | 1,474 |
| mp2_cphf.F | H A D | 18-May-2020 | 87.1 KiB | 1,832 | 1,424 |
| mp2_direct_method.F | H A D | 18-May-2020 | 65 KiB | 1,468 | 1,039 |
| mp2_eri.F | H A D | 18-May-2020 | 68.5 KiB | 1,519 | 1,124 |
| mp2_eri_gpw.F | H A D | 18-May-2020 | 26.3 KiB | 562 | 364 |
| mp2_gpw.F | H A D | 18-May-2020 | 64.3 KiB | 1,400 | 982 |
| mp2_gpw_method.F | H A D | 18-May-2020 | 39.9 KiB | 884 | 610 |
| mp2_grids.F | H A D | 18-May-2020 | 65 KiB | 1,581 | 946 |
| mp2_integrals.F | H A D | 18-May-2020 | 79.2 KiB | 1,653 | 1,134 |
| mp2_laplace.F | H A D | 18-May-2020 | 5.5 KiB | 145 | 76 |
| mp2_optimize_ri_basis.F | H A D | 18-May-2020 | 75 KiB | 1,788 | 1,293 |
| mp2_ri_2c.F | H A D | 18-May-2020 | 66.5 KiB | 1,590 | 999 |
| mp2_ri_gpw.F | H A D | 18-May-2020 | 149.7 KiB | 3,037 | 2,181 |
| mp2_ri_grad.F | H A D | 18-May-2020 | 101.4 KiB | 2,128 | 1,591 |
| mp2_ri_grad_util.F | H A D | 18-May-2020 | 71.9 KiB | 1,619 | 1,178 |
| mp2_ri_libint.F | H A D | 18-May-2020 | 60.2 KiB | 1,351 | 973 |
| mp2_setup.F | H A D | 18-May-2020 | 20.4 KiB | 360 | 283 |
| mp2_types.F | H A D | 18-May-2020 | 11.5 KiB | 312 | 239 |
| mscfg_methods.F | H A D | 18-May-2020 | 24.3 KiB | 509 | 295 |
| mscfg_types.F | H A D | 18-May-2020 | 14 KiB | 340 | 174 |
| mulliken.F | H A D | 18-May-2020 | 37.7 KiB | 915 | 529 |
| negf_alloc_types.F | H A D | 18-May-2020 | 2.7 KiB | 55 | 18 |
| negf_atom_map.F | H A D | 18-May-2020 | 11.4 KiB | 239 | 136 |
| negf_control_types.F | H A D | 18-May-2020 | 30.5 KiB | 618 | 430 |
| negf_env_types.F | H A D | 18-May-2020 | 69.2 KiB | 1,364 | 953 |
| negf_green_cache.F | H A D | 18-May-2020 | 6.6 KiB | 157 | 86 |
| negf_green_methods.F | H A D | 18-May-2020 | 17.1 KiB | 346 | 172 |
| negf_integr_cc.F | H A D | 18-May-2020 | 23.7 KiB | 529 | 320 |
| negf_integr_simpson.F | H A D | 18-May-2020 | 30.3 KiB | 612 | 373 |
| negf_integr_utils.F | H A D | 18-May-2020 | 12.4 KiB | 301 | 141 |
| negf_integr_utils.fypp | H A D | 18-May-2020 | 550 | 10 | 0 |
| negf_matrix_utils.F | H A D | 18-May-2020 | 36.3 KiB | 805 | 552 |
| negf_methods.F | H A D | 18-May-2020 | 151 KiB | 3,029 | 2,265 |
| negf_subgroup_types.F | H A D | 18-May-2020 | 7.8 KiB | 156 | 73 |
| negf_vectors.F | H A D | 18-May-2020 | 7 KiB | 147 | 71 |
| optbas_fenv_manipulation.F | H A D | 18-May-2020 | 22.6 KiB | 454 | 343 |
| optbas_opt_utils.F | H A D | 18-May-2020 | 6.1 KiB | 134 | 85 |
| optimize_basis.F | H A D | 18-May-2020 | 29 KiB | 623 | 418 |
| optimize_basis_types.F | H A D | 18-May-2020 | 10.9 KiB | 220 | 151 |
| optimize_basis_utils.F | H A D | 18-May-2020 | 57.1 KiB | 1,228 | 864 |
| optimize_dmfet_potential.F | H A D | 18-May-2020 | 13.5 KiB | 318 | 193 |
| optimize_embedding_potential.F | H A D | 18-May-2020 | 164.3 KiB | 3,769 | 2,493 |
| optimize_input.F | H A D | 18-May-2020 | 33.1 KiB | 682 | 503 |
| outer_scf_control_types.F | H A D | 18-May-2020 | 7.1 KiB | 151 | 76 |
| pair_potential.F | H A D | 18-May-2020 | 48.4 KiB | 1,089 | 862 |
| pair_potential_coulomb.F | H A D | 18-May-2020 | 3 KiB | 79 | 44 |
| pair_potential_types.F | H A D | 18-May-2020 | 94.9 KiB | 2,147 | 1,478 |
| pair_potential_util.F | H A D | 18-May-2020 | 15.3 KiB | 310 | 213 |
| pao_input.F | H A D | 18-May-2020 | 31.4 KiB | 575 | 438 |
| pao_io.F | H A D | 18-May-2020 | 32.3 KiB | 710 | 497 |
| pao_linpot_full.F | H A D | 18-May-2020 | 3.1 KiB | 78 | 39 |
| pao_linpot_rotinv.F | H A D | 18-May-2020 | 22.7 KiB | 506 | 364 |
| pao_main.F | H A D | 18-May-2020 | 15.8 KiB | 387 | 249 |
| pao_methods.F | H A D | 18-May-2020 | 56.9 KiB | 1,241 | 807 |
| pao_ml.F | H A D | 18-May-2020 | 31.8 KiB | 725 | 473 |
| pao_ml_descriptor.F | H A D | 18-May-2020 | 18.2 KiB | 408 | 277 |
| pao_ml_gaussprocess.F | H A D | 18-May-2020 | 8.6 KiB | 207 | 111 |
| pao_ml_neuralnet.F | H A D | 18-May-2020 | 13.5 KiB | 331 | 210 |
| pao_optimizer.F | H A D | 18-May-2020 | 15 KiB | 345 | 193 |
| pao_param.F | H A D | 18-May-2020 | 15.3 KiB | 354 | 219 |
| pao_param_exp.F | H A D | 18-May-2020 | 17.2 KiB | 404 | 241 |
| pao_param_fock.F | H A D | 18-May-2020 | 6.9 KiB | 181 | 110 |
| pao_param_gth.F | H A D | 18-May-2020 | 21.5 KiB | 486 | 333 |
| pao_param_linpot.F | H A D | 18-May-2020 | 27.7 KiB | 616 | 412 |
| pao_potentials.F | H A D | 18-May-2020 | 14.2 KiB | 330 | 213 |
| pao_types.F | H A D | 18-May-2020 | 13.2 KiB | 240 | 110 |
| particle_methods.F | H A D | 18-May-2020 | 44 KiB | 970 | 748 |
| paw_proj_set_types.F | H A D | 18-May-2020 | 36.1 KiB | 881 | 669 |
| pexsi_interface.F | H A D | 18-May-2020 | 21.7 KiB | 496 | 290 |
| pexsi_methods.F | H A D | 18-May-2020 | 31.1 KiB | 633 | 406 |
| pexsi_types.F | H A D | 18-May-2020 | 15.4 KiB | 322 | 178 |
| pilaenv_hack.F | H A D | 18-May-2020 | 1.4 KiB | 32 | 3 |
| pme.F | H A D | 18-May-2020 | 33.4 KiB | 748 | 569 |
| pme_tools.F | H A D | 18-May-2020 | 6 KiB | 161 | 92 |
| population_analyses.F | H A D | 18-May-2020 | 25.1 KiB | 583 | 440 |
| preconditioner.F | H A D | 18-May-2020 | 19.8 KiB | 412 | 267 |
| preconditioner_apply.F | H A D | 18-May-2020 | 13.9 KiB | 315 | 184 |
| preconditioner_makes.F | H A D | 18-May-2020 | 39.8 KiB | 807 | 531 |
| preconditioner_solvers.F | H A D | 18-May-2020 | 17.4 KiB | 383 | 218 |
| preconditioner_types.F | H A D | 18-May-2020 | 7.2 KiB | 168 | 104 |
| pw_env_methods.F | H A D | 18-May-2020 | 51 KiB | 1,051 | 784 |
| pw_poisson_read_input.F | H A D | 18-May-2020 | 34.2 KiB | 577 | 440 |
| pwdft_environment.F | H A D | 18-May-2020 | 12.5 KiB | 275 | 178 |
| pwdft_environment_types.F | H A D | 18-May-2020 | 14.4 KiB | 348 | 178 |
| qmmm_create.F | H A D | 18-May-2020 | 22.3 KiB | 438 | 334 |
| qmmm_elpot.F | H A D | 18-May-2020 | 11.6 KiB | 267 | 198 |
| qmmm_ff_fist.F | H A D | 18-May-2020 | 5 KiB | 132 | 83 |
| qmmm_force.F | H A D | 18-May-2020 | 12.1 KiB | 247 | 174 |
| qmmm_gaussian_data.F | H A D | 18-May-2020 | 30.9 KiB | 439 | 379 |
| qmmm_gaussian_init.F | H A D | 18-May-2020 | 9.4 KiB | 207 | 150 |
| qmmm_gaussian_input.F | H A D | 18-May-2020 | 63.4 KiB | 1,092 | 1,006 |
| qmmm_gaussian_types.F | H A D | 18-May-2020 | 2.1 KiB | 49 | 14 |
| qmmm_gpw_energy.F | H A D | 18-May-2020 | 43.2 KiB | 846 | 675 |
| qmmm_gpw_forces.F | H A D | 18-May-2020 | 91.6 KiB | 1,840 | 1,419 |
| qmmm_image_charge.F | H A D | 18-May-2020 | 56.3 KiB | 1,301 | 867 |
| qmmm_init.F | H A D | 18-May-2020 | 80.4 KiB | 1,643 | 1,207 |
| qmmm_links_methods.F | H A D | 18-May-2020 | 9 KiB | 198 | 121 |
| qmmm_per_elpot.F | H A D | 18-May-2020 | 20.4 KiB | 419 | 302 |
| qmmm_pw_grid.F | H A D | 18-May-2020 | 9.4 KiB | 204 | 144 |
| qmmm_se_energy.F | H A D | 18-May-2020 | 18.1 KiB | 351 | 266 |
| qmmm_se_forces.F | H A D | 18-May-2020 | 17.7 KiB | 341 | 252 |
| qmmm_tb_coulomb.F | H A D | 18-May-2020 | 12.6 KiB | 273 | 210 |
| qmmm_tb_methods.F | H A D | 18-May-2020 | 68.5 KiB | 1,415 | 1,123 |
| qmmm_topology_util.F | H A D | 18-May-2020 | 9.4 KiB | 189 | 131 |
| qmmm_types.F | H A D | 18-May-2020 | 5.3 KiB | 120 | 69 |
| qmmm_types_low.F | H A D | 18-May-2020 | 37.5 KiB | 822 | 594 |
| qmmm_util.F | H A D | 18-May-2020 | 30.9 KiB | 650 | 458 |
| qmmmx_create.F | H A D | 18-May-2020 | 4.6 KiB | 96 | 51 |
| qmmmx_force.F | H A D | 18-May-2020 | 12.2 KiB | 239 | 155 |
| qmmmx_types.F | H A D | 18-May-2020 | 4.3 KiB | 99 | 49 |
| qmmmx_update.F | H A D | 18-May-2020 | 10.9 KiB | 205 | 134 |
| qmmmx_util.F | H A D | 18-May-2020 | 43.2 KiB | 826 | 582 |
| qs_active_space_methods.F | H A D | 18-May-2020 | 82.8 KiB | 1,888 | 1,515 |
| qs_active_space_types.F | H A D | 18-May-2020 | 15.5 KiB | 385 | 239 |
| qs_band_structure.F | H A D | 18-May-2020 | 21.3 KiB | 449 | 369 |
| qs_basis_gradient.F | H A D | 18-May-2020 | 15.1 KiB | 332 | 231 |
| qs_block_davidson_types.F | H A D | 18-May-2020 | 9 KiB | 207 | 105 |
| qs_cdft_methods.F | H A D | 18-May-2020 | 70.7 KiB | 1,375 | 1,158 |
| qs_cdft_opt_types.F | H A D | 18-May-2020 | 16.2 KiB | 350 | 214 |
| qs_cdft_scf_utils.F | H A D | 18-May-2020 | 23.9 KiB | 472 | 340 |
| qs_cdft_types.F | H A D | 18-May-2020 | 29.9 KiB | 567 | 347 |
| qs_cdft_utils.F | H A D | 18-May-2020 | 68.8 KiB | 1,326 | 1,101 |
| qs_charge_mixing.F | H A D | 18-May-2020 | 10.6 KiB | 265 | 174 |
| qs_charges_types.F | H A D | 18-May-2020 | 5.6 KiB | 132 | 63 |
| qs_collocate_density.F | H A D | 18-May-2020 | 111.5 KiB | 2,535 | 1,881 |
| qs_commutators.F | H A D | 18-May-2020 | 4.1 KiB | 98 | 49 |
| qs_condnum.F | H A D | 18-May-2020 | 13.5 KiB | 311 | 214 |
| qs_core_energies.F | H A D | 18-May-2020 | 16.7 KiB | 412 | 256 |
| qs_core_hamiltonian.F | H A D | 18-May-2020 | 35.4 KiB | 716 | 503 |
| qs_density_mixing_types.F | H A D | 18-May-2020 | 34.2 KiB | 754 | 631 |
| qs_dftb3_methods.F | H A D | 18-May-2020 | 18.1 KiB | 387 | 313 |
| qs_dftb_coulomb.F | H A D | 18-May-2020 | 34.8 KiB | 761 | 616 |
| qs_dftb_dispersion.F | H A D | 18-May-2020 | 12.5 KiB | 270 | 199 |
| qs_dftb_matrices.F | H A D | 18-May-2020 | 47.9 KiB | 1,055 | 833 |
| qs_dftb_parameters.F | H A D | 18-May-2020 | 33.1 KiB | 763 | 580 |
| qs_dftb_types.F | H A D | 18-May-2020 | 7.2 KiB | 169 | 102 |
| qs_dftb_utils.F | H A D | 18-May-2020 | 38 KiB | 1,024 | 612 |
| qs_diis.F | H A D | 18-May-2020 | 35.2 KiB | 908 | 568 |
| qs_diis_types.F | H A D | 18-May-2020 | 7.7 KiB | 179 | 101 |
| qs_dispersion_nonloc.F | H A D | 18-May-2020 | 68.3 KiB | 1,531 | 915 |
| qs_dispersion_pairpot.F | H A D | 18-May-2020 | 165.3 KiB | 3,506 | 3,005 |
| qs_dispersion_types.F | H A D | 18-May-2020 | 8.3 KiB | 177 | 118 |
| qs_dispersion_utils.F | H A D | 18-May-2020 | 17.8 KiB | 307 | 248 |
| qs_dos.F | H A D | 18-May-2020 | 13.9 KiB | 331 | 256 |
| qs_efield_berry.F | H A D | 18-May-2020 | 59.8 KiB | 1,217 | 999 |
| qs_efield_local.F | H A D | 18-May-2020 | 18.1 KiB | 400 | 301 |
| qs_elec_field.F | H A D | 18-May-2020 | 13.3 KiB | 316 | 222 |
| qs_electric_field_gradient.F | H A D | 18-May-2020 | 26.9 KiB | 592 | 474 |
| qs_elf_methods.F | H A D | 18-May-2020 | 10.4 KiB | 218 | 165 |
| qs_energy.F | H A D | 18-May-2020 | 5.2 KiB | 130 | 69 |
| qs_energy_init.F | H A D | 18-May-2020 | 17.5 KiB | 368 | 251 |
| qs_energy_matrix_w.F | H A D | 18-May-2020 | 7.9 KiB | 176 | 120 |
| qs_energy_types.F | H A D | 18-May-2020 | 7.8 KiB | 208 | 138 |
| qs_energy_utils.F | H A D | 18-May-2020 | 18.5 KiB | 426 | 287 |
| qs_energy_window.F | H A D | 18-May-2020 | 18.8 KiB | 337 | 270 |
| qs_environment.F | H A D | 18-May-2020 | 86.8 KiB | 1,750 | 1,370 |
| qs_environment_methods.F | H A D | 18-May-2020 | 20.1 KiB | 422 | 322 |
| qs_environment_types.F | H A D | 18-May-2020 | 76.4 KiB | 1,601 | 1,155 |
| qs_epr_hyp.F | H A D | 18-May-2020 | 21.1 KiB | 391 | 314 |
| qs_external_density.F | H A D | 18-May-2020 | 9.6 KiB | 214 | 150 |
| qs_external_potential.F | H A D | 18-May-2020 | 23.5 KiB | 483 | 339 |
| qs_fb_atomic_halo_types.F | H A D | 18-May-2020 | 48 KiB | 972 | 568 |
| qs_fb_atomic_matrix_methods.F | H A D | 18-May-2020 | 38.4 KiB | 810 | 491 |
| qs_fb_buffer_types.F | H A D | 18-May-2020 | 36 KiB | 845 | 496 |
| qs_fb_com_tasks_types.F | H A D | 18-May-2020 | 63.7 KiB | 1,397 | 803 |
| qs_fb_distribution_methods.F | H A D | 18-May-2020 | 38.1 KiB | 828 | 542 |
| qs_fb_env_methods.F | H A D | 18-May-2020 | 60.2 KiB | 1,256 | 858 |
| qs_fb_env_types.F | H A D | 18-May-2020 | 17.9 KiB | 387 | 223 |
| qs_fb_filter_matrix_methods.F | H A D | 18-May-2020 | 67.8 KiB | 1,460 | 978 |
| qs_fb_hash_table_types.F | H A D | 18-May-2020 | 22.2 KiB | 488 | 265 |
| qs_fb_input.F | H A D | 18-May-2020 | 5.4 KiB | 115 | 84 |
| qs_fb_matrix_data_types.F | H A D | 18-May-2020 | 19.2 KiB | 407 | 239 |
| qs_fb_trial_fns_types.F | H A D | 18-May-2020 | 11.3 KiB | 253 | 129 |
| qs_fermi_contact.F | H A D | 18-May-2020 | 12.2 KiB | 300 | 207 |
| qs_force.F | H A D | 18-May-2020 | 34 KiB | 676 | 528 |
| qs_force_types.F | H A D | 18-May-2020 | 27.2 KiB | 612 | 416 |
| qs_gamma2kp.F | H A D | 18-May-2020 | 4.1 KiB | 97 | 55 |
| qs_gapw_densities.F | H A D | 18-May-2020 | 7.8 KiB | 182 | 131 |
| qs_gcp_method.F | H A D | 18-May-2020 | 13.3 KiB | 307 | 248 |
| qs_gcp_types.F | H A D | 18-May-2020 | 3.9 KiB | 94 | 49 |
| qs_gcp_utils.F | H A D | 18-May-2020 | 15.1 KiB | 252 | 190 |
| qs_grid_atom.F | H A D | 18-May-2020 | 24.4 KiB | 681 | 479 |
| qs_gspace_mixing.F | H A D | 18-May-2020 | 70.5 KiB | 1,541 | 1,221 |
| qs_harmonics_atom.F | H A D | 18-May-2020 | 22.2 KiB | 598 | 396 |
| qs_hash_table_functions.F | H A D | 18-May-2020 | 3.1 KiB | 79 | 34 |
| qs_initial_guess.F | H A D | 18-May-2020 | 72.7 KiB | 1,581 | 1,241 |
| qs_integral_utils.F | H A D | 18-May-2020 | 8.1 KiB | 186 | 83 |
| qs_integrate_potential.F | H A D | 18-May-2020 | 2.2 KiB | 52 | 17 |
| qs_integrate_potential_product.F | H A D | 18-May-2020 | 38.2 KiB | 872 | 611 |
| qs_integrate_potential_single.F | H A D | 18-May-2020 | 52.9 KiB | 1,138 | 889 |
| qs_interactions.F | H A D | 18-May-2020 | 45 KiB | 936 | 708 |
| qs_kind_types.F | H A D | 18-May-2020 | 149.8 KiB | 3,233 | 2,566 |
| qs_kinetic.F | H A D | 18-May-2020 | 20.6 KiB | 475 | 302 |
| qs_kpp1_env_methods.F | H A D | 18-May-2020 | 35.8 KiB | 790 | 573 |
| qs_kpp1_env_types.F | H A D | 18-May-2020 | 7.6 KiB | 167 | 92 |
| qs_ks_apply_restraints.F | H A D | 18-May-2020 | 11.8 KiB | 243 | 161 |
| qs_ks_atom.F | H A D | 18-May-2020 | 41.4 KiB | 828 | 562 |
| qs_ks_methods.F | H A D | 18-May-2020 | 73.3 KiB | 1,565 | 1,140 |
| qs_ks_qmmm_methods.F | H A D | 18-May-2020 | 10 KiB | 229 | 141 |
| qs_ks_qmmm_types.F | H A D | 18-May-2020 | 5.7 KiB | 128 | 66 |
| qs_ks_types.F | H A D | 18-May-2020 | 49.6 KiB | 971 | 616 |
| qs_ks_utils.F | H A D | 18-May-2020 | 87.5 KiB | 1,851 | 1,422 |
| qs_linres_atom_current.F | H A D | 18-May-2020 | 76.1 KiB | 1,512 | 1,028 |
| qs_linres_current.F | H A D | 18-May-2020 | 140 KiB | 3,015 | 2,222 |
| qs_linres_current_utils.F | H A D | 18-May-2020 | 67.4 KiB | 1,489 | 1,115 |
| qs_linres_epr_nablavks.F | H A D | 18-May-2020 | 44.9 KiB | 1,001 | 703 |
| qs_linres_epr_ownutils.F | H A D | 18-May-2020 | 44 KiB | 899 | 650 |
| qs_linres_epr_utils.F | H A D | 18-May-2020 | 13.1 KiB | 299 | 201 |
| qs_linres_issc_utils.F | H A D | 18-May-2020 | 52.5 KiB | 1,169 | 770 |
| qs_linres_methods.F | H A D | 18-May-2020 | 109.5 KiB | 2,512 | 1,840 |
| qs_linres_module.F | H A D | 18-May-2020 | 25.1 KiB | 573 | 374 |
| qs_linres_nmr_epr_common_utils.F | H A D | 18-May-2020 | 4.5 KiB | 107 | 48 |
| qs_linres_nmr_shift.F | H A D | 18-May-2020 | 50.3 KiB | 1,022 | 768 |
| qs_linres_nmr_utils.F | H A D | 18-May-2020 | 15.5 KiB | 345 | 245 |
| qs_linres_op.F | H A D | 18-May-2020 | 47.6 KiB | 1,079 | 728 |
| qs_linres_polar_utils.F | H A D | 18-May-2020 | 26.6 KiB | 586 | 432 |
| qs_linres_types.F | H A D | 18-May-2020 | 70.6 KiB | 1,528 | 1,002 |
| qs_loc_dipole.F | H A D | 18-May-2020 | 10.1 KiB | 206 | 156 |
| qs_loc_methods.F | H A D | 18-May-2020 | 52.9 KiB | 1,107 | 798 |
| qs_loc_molecules.F | H A D | 18-May-2020 | 8 KiB | 191 | 133 |
| qs_loc_states.F | H A D | 18-May-2020 | 10.2 KiB | 198 | 141 |
| qs_loc_types.F | H A D | 18-May-2020 | 23.2 KiB | 526 | 294 |
| qs_loc_utils.F | H A D | 18-May-2020 | 82.7 KiB | 1,820 | 1,347 |
| qs_local_properties.F | H A D | 18-May-2020 | 18.4 KiB | 402 | 300 |
| qs_local_rho_types.F | H A D | 18-May-2020 | 11.6 KiB | 302 | 178 |
| qs_localization_methods.F | H A D | 18-May-2020 | 90.2 KiB | 2,076 | 1,555 |
| qs_matrix_pools.F | H A D | 18-May-2020 | 24.7 KiB | 551 | 408 |
| qs_mixing_utils.F | H A D | 18-May-2020 | 37.5 KiB | 806 | 680 |
| qs_mo_io.F | H A D | 18-May-2020 | 59.8 KiB | 1,373 | 1,015 |
| qs_mo_methods.F | H A D | 18-May-2020 | 44.3 KiB | 985 | 628 |
| qs_mo_occupation.F | H A D | 18-May-2020 | 28.9 KiB | 690 | 501 |
| qs_mo_types.F | H A D | 18-May-2020 | 20.5 KiB | 495 | 274 |
| qs_mom_methods.F | H A D | 18-May-2020 | 24.6 KiB | 536 | 331 |
| qs_mom_types.F | H A D | 18-May-2020 | 7.9 KiB | 163 | 116 |
| qs_moments.F | H A D | 18-May-2020 | 106.1 KiB | 2,508 | 1,970 |
| qs_neighbor_list_types.F | H A D | 18-May-2020 | 43 KiB | 1,159 | 655 |
| qs_neighbor_lists.F | H A D | 18-May-2020 | 83.3 KiB | 1,806 | 1,402 |
| qs_nl_hash_table_types.F | H A D | 18-May-2020 | 19.7 KiB | 438 | 233 |
| qs_o3c_methods.F | H A D | 18-May-2020 | 20.5 KiB | 482 | 341 |
| qs_o3c_types.F | H A D | 18-May-2020 | 26.1 KiB | 681 | 429 |
| qs_oce_methods.F | H A D | 18-May-2020 | 32.9 KiB | 748 | 514 |
| qs_oce_types.F | H A D | 18-May-2020 | 4.1 KiB | 116 | 49 |
| qs_operators_ao.F | H A D | 18-May-2020 | 65.3 KiB | 1,617 | 1,100 |
| qs_ot.F | H A D | 18-May-2020 | 67.4 KiB | 1,586 | 996 |
| qs_ot_eigensolver.F | H A D | 18-May-2020 | 14.3 KiB | 317 | 206 |
| qs_ot_minimizer.F | H A D | 18-May-2020 | 66.2 KiB | 1,581 | 1,235 |
| qs_ot_scf.F | H A D | 18-May-2020 | 20.8 KiB | 455 | 286 |
| qs_ot_types.F | H A D | 18-May-2020 | 48.5 KiB | 1,003 | 790 |
| qs_outer_scf.F | H A D | 18-May-2020 | 35.2 KiB | 683 | 502 |
| qs_overlap.F | H A D | 18-May-2020 | 50.3 KiB | 1,165 | 761 |
| qs_p_env_methods.F | H A D | 18-May-2020 | 41.9 KiB | 965 | 667 |
| qs_p_env_types.F | H A D | 18-May-2020 | 8.2 KiB | 183 | 101 |
| qs_pdos.F | H A D | 18-May-2020 | 45.9 KiB | 983 | 818 |
| qs_period_efield_types.F | H A D | 18-May-2020 | 4.5 KiB | 119 | 61 |
| qs_resp.F | H A D | 18-May-2020 | 87.1 KiB | 1,837 | 1,429 |
| qs_rho0_ggrid.F | H A D | 18-May-2020 | 30.3 KiB | 708 | 520 |
| qs_rho0_methods.F | H A D | 18-May-2020 | 24.5 KiB | 574 | 401 |
| qs_rho0_types.F | H A D | 18-May-2020 | 21.8 KiB | 584 | 353 |
| qs_rho_atom_methods.F | H A D | 18-May-2020 | 56 KiB | 1,236 | 879 |
| qs_rho_atom_types.F | H A D | 18-May-2020 | 11.9 KiB | 296 | 212 |
| qs_rho_methods.F | H A D | 18-May-2020 | 34.4 KiB | 760 | 601 |
| qs_rho_types.F | H A D | 18-May-2020 | 17.4 KiB | 377 | 210 |
| qs_sccs.F | H A D | 18-May-2020 | 57.5 KiB | 1,293 | 925 |
| qs_scf.F | H A D | 18-May-2020 | 83.7 KiB | 1,660 | 1,241 |
| qs_scf_block_davidson.F | H A D | 18-May-2020 | 42.2 KiB | 971 | 714 |
| qs_scf_csr_write.F | H A D | 18-May-2020 | 16.8 KiB | 333 | 231 |
| qs_scf_diagonalization.F | H A D | 18-May-2020 | 75.1 KiB | 1,674 | 1,215 |
| qs_scf_initialization.F | H A D | 18-May-2020 | 60.8 KiB | 1,210 | 927 |
| qs_scf_lanczos.F | H A D | 18-May-2020 | 37.8 KiB | 890 | 647 |
| qs_scf_loop_utils.F | H A D | 18-May-2020 | 34.3 KiB | 747 | 502 |
| qs_scf_methods.F | H A D | 18-May-2020 | 37.2 KiB | 851 | 506 |
| qs_scf_output.F | H A D | 18-May-2020 | 48 KiB | 919 | 743 |
| qs_scf_post_gpw.F | H A D | 18-May-2020 | 164.9 KiB | 3,254 | 2,553 |
| qs_scf_post_scf.F | H A D | 18-May-2020 | 4.1 KiB | 89 | 57 |
| qs_scf_post_se.F | H A D | 18-May-2020 | 36.3 KiB | 734 | 565 |
| qs_scf_post_tb.F | H A D | 18-May-2020 | 81.2 KiB | 1,676 | 1,391 |
| qs_scf_types.F | H A D | 18-May-2020 | 25.1 KiB | 592 | 423 |
| qs_scf_wfn_mix.F | H A D | 18-May-2020 | 9.7 KiB | 199 | 129 |
| qs_spin_orbit.F | H A D | 18-May-2020 | 12.8 KiB | 309 | 216 |
| qs_subsys_methods.F | H A D | 18-May-2020 | 13.4 KiB | 276 | 177 |
| qs_subsys_types.F | H A D | 18-May-2020 | 14.2 KiB | 296 | 195 |
| qs_tddfpt2_densities.F | H A D | 18-May-2020 | 8.9 KiB | 165 | 89 |
| qs_tddfpt2_eigensolver.F | H A D | 18-May-2020 | 42.7 KiB | 855 | 557 |
| qs_tddfpt2_fhxc.F | H A D | 18-May-2020 | 14.5 KiB | 278 | 180 |
| qs_tddfpt2_methods.F | H A D | 18-May-2020 | 25 KiB | 497 | 367 |
| qs_tddfpt2_operators.F | H A D | 18-May-2020 | 30.4 KiB | 594 | 397 |
| qs_tddfpt2_properties.F | H A D | 18-May-2020 | 65 KiB | 1,326 | 969 |
| qs_tddfpt2_restart.F | H A D | 18-May-2020 | 13.5 KiB | 290 | 190 |
| qs_tddfpt2_stda_types.F | H A D | 18-May-2020 | 13.1 KiB | 280 | 174 |
| qs_tddfpt2_stda_utils.F | H A D | 18-May-2020 | 30.6 KiB | 649 | 472 |
| qs_tddfpt2_subgroups.F | H A D | 18-May-2020 | 38 KiB | 751 | 471 |
| qs_tddfpt2_types.F | H A D | 18-May-2020 | 41.3 KiB | 825 | 551 |
| qs_tddfpt2_utils.F | H A D | 18-May-2020 | 46.7 KiB | 961 | 695 |
| qs_tddfpt_eigensolver.F | H A D | 18-May-2020 | 25.7 KiB | 635 | 432 |
| qs_tddfpt_module.F | H A D | 18-May-2020 | 8.4 KiB | 187 | 122 |
| qs_tddfpt_types.F | H A D | 18-May-2020 | 5.6 KiB | 136 | 85 |
| qs_tddfpt_utils.F | H A D | 18-May-2020 | 19.1 KiB | 466 | 298 |
| qs_tensors.F | H A D | 18-May-2020 | 77 KiB | 1,793 | 1,329 |
| qs_tensors_types.F | H A D | 18-May-2020 | 25.7 KiB | 595 | 392 |
| qs_update_s_mstruct.F | H A D | 18-May-2020 | 13.8 KiB | 317 | 209 |
| qs_vxc.F | H A D | 18-May-2020 | 33.5 KiB | 745 | 535 |
| qs_vxc_atom.F | H A D | 18-May-2020 | 74.6 KiB | 1,631 | 1,210 |
| qs_wannier90.F | H A D | 18-May-2020 | 28.6 KiB | 633 | 523 |
| qs_wf_history_methods.F | H A D | 18-May-2020 | 53.8 KiB | 1,153 | 910 |
| qs_wf_history_types.F | H A D | 18-May-2020 | 10.4 KiB | 241 | 113 |
| rel_control_types.F | H A D | 18-May-2020 | 7.7 KiB | 184 | 79 |
| replica_methods.F | H A D | 18-May-2020 | 23.8 KiB | 498 | 377 |
| replica_types.F | H A D | 18-May-2020 | 17.9 KiB | 388 | 230 |
| response_solver.F | H A D | 18-May-2020 | 62 KiB | 1,264 | 1,044 |
| restraint.F | H A D | 18-May-2020 | 29 KiB | 619 | 416 |
| ri_environment_methods.F | H A D | 18-May-2020 | 27.7 KiB | 645 | 454 |
| rmsd.F | H A D | 18-May-2020 | 10.9 KiB | 291 | 219 |
| rpa_axk.F | H A D | 18-May-2020 | 24.3 KiB | 542 | 338 |
| rpa_communication.F | H A D | 18-May-2020 | 47.9 KiB | 1,060 | 761 |
| rpa_gw.F | H A D | 18-May-2020 | 228 KiB | 5,267 | 3,366 |
| rpa_gw_ic.F | H A D | 18-May-2020 | 40.8 KiB | 1,038 | 656 |
| rpa_gw_im_time_util.F | H A D | 18-May-2020 | 28.3 KiB | 657 | 432 |
| rpa_gw_kpoints.F | H A D | 18-May-2020 | 52.1 KiB | 1,275 | 801 |
| rpa_im_time.F | H A D | 18-May-2020 | 67.1 KiB | 1,517 | 996 |
| rpa_kpoints.F | H A D | 18-May-2020 | 37 KiB | 874 | 517 |
| rpa_main.F | H A D | 18-May-2020 | 105.6 KiB | 2,083 | 1,515 |
| rpa_rse.F | H A D | 18-May-2020 | 38.7 KiB | 888 | 611 |
| rpa_util.F | H A D | 18-May-2020 | 54.9 KiB | 1,227 | 763 |
| rt_propagation_forces.F | H A D | 18-May-2020 | 23.5 KiB | 493 | 325 |
| rt_propagation_types.F | H A D | 18-May-2020 | 23.1 KiB | 517 | 391 |
| rtp_admm_methods.F | H A D | 18-May-2020 | 25 KiB | 532 | 350 |
| s_square_methods.F | H A D | 18-May-2020 | 9.8 KiB | 204 | 132 |
| sap_kind_types.F | H A D | 18-May-2020 | 27.2 KiB | 627 | 452 |
| scf_control_types.F | H A D | 18-May-2020 | 37.1 KiB | 792 | 534 |
| scine_utils.F | H A D | 18-May-2020 | 8 KiB | 172 | 132 |
| se_core_core.F | H A D | 18-May-2020 | 13.4 KiB | 265 | 199 |
| se_core_matrix.F | H A D | 18-May-2020 | 74.2 KiB | 1,393 | 1,180 |
| se_fock_matrix.F | H A D | 18-May-2020 | 12.8 KiB | 264 | 183 |
| se_fock_matrix_coulomb.F | H A D | 18-May-2020 | 80.2 KiB | 1,530 | 1,211 |
| se_fock_matrix_dbg.F | H A D | 18-May-2020 | 3.5 KiB | 82 | 42 |
| se_fock_matrix_exchange.F | H A D | 18-May-2020 | 14.5 KiB | 279 | 216 |
| se_fock_matrix_integrals.F | H A D | 18-May-2020 | 45.2 KiB | 1,144 | 732 |
| semi_empirical_expns3_methods.F | H A D | 18-May-2020 | 9.4 KiB | 218 | 147 |
| semi_empirical_expns3_types.F | H A D | 18-May-2020 | 3.5 KiB | 81 | 34 |
| semi_empirical_int3_utils.F | H A D | 18-May-2020 | 7.6 KiB | 212 | 98 |
| semi_empirical_int_ana.F | H A D | 18-May-2020 | 85 KiB | 1,798 | 1,254 |
| semi_empirical_int_args.h | H A D | 18-May-2020 | 57 | 2 | 1 |
| semi_empirical_int_arrays.F | H A D | 18-May-2020 | 74.8 KiB | 1,818 | 1,090 |
| semi_empirical_int_debug.F | H A D | 18-May-2020 | 26.7 KiB | 700 | 461 |
| semi_empirical_int_debug.h | H A D | 18-May-2020 | 9.1 KiB | 207 | 197 |
| semi_empirical_int_gks.F | H A D | 18-May-2020 | 49.6 KiB | 1,331 | 1,035 |
| semi_empirical_int_num.F | H A D | 18-May-2020 | 53.2 KiB | 1,169 | 756 |
| semi_empirical_int_utils.F | H A D | 18-May-2020 | 117.9 KiB | 2,452 | 1,840 |
| semi_empirical_integrals.F | H A D | 18-May-2020 | 30.9 KiB | 624 | 429 |
| semi_empirical_mpole_methods.F | H A D | 18-May-2020 | 12.2 KiB | 300 | 193 |
| semi_empirical_mpole_types.F | H A D | 18-May-2020 | 9 KiB | 215 | 121 |
| semi_empirical_par_utils.F | H A D | 18-May-2020 | 50.7 KiB | 1,092 | 726 |
| semi_empirical_parameters.F | H A D | 18-May-2020 | 342.3 KiB | 9,374 | 8,659 |
| semi_empirical_store_int_types.F | H A D | 18-May-2020 | 12.6 KiB | 267 | 172 |
| semi_empirical_types.F | H A D | 18-May-2020 | 45.2 KiB | 944 | 688 |
| semi_empirical_utils.F | H A D | 18-May-2020 | 15.5 KiB | 365 | 260 |
| shg_integrals_test.F | H A D | 18-May-2020 | 45.2 KiB | 895 | 690 |
| simpar_types.F | H A D | 18-May-2020 | 4.9 KiB | 129 | 77 |
| sirius_interface.F | H A D | 18-May-2020 | 38.6 KiB | 842 | 609 |
| sockets.c | H A D | 18-May-2020 | 5.1 KiB | 171 | 69 |
| spglib_f08.F | H A D | 18-May-2020 | 14.7 KiB | 340 | 199 |
| splines_methods.F | H A D | 18-May-2020 | 10.3 KiB | 247 | 124 |
| splines_types.F | H A D | 18-May-2020 | 17.7 KiB | 432 | 263 |
| spme.F | H A D | 18-May-2020 | 40.9 KiB | 957 | 658 |
| statistical_methods.F | H A D | 18-May-2020 | 18.1 KiB | 489 | 341 |
| stm_images.F | H A D | 18-May-2020 | 19.3 KiB | 405 | 297 |
| subcell_types.F | H A D | 18-May-2020 | 8.1 KiB | 215 | 123 |
| submatrix_dissection.F | H A D | 18-May-2020 | 42.2 KiB | 885 | 626 |
| submatrix_types.F | H A D | 18-May-2020 | 11 KiB | 278 | 167 |
| surface_dipole.F | H A D | 18-May-2020 | 11.8 KiB | 283 | 206 |
| taper_types.F | H A D | 18-May-2020 | 4.6 KiB | 119 | 55 |
| task_list_methods.F | H A D | 18-May-2020 | 111.3 KiB | 2,668 | 1,684 |
| task_list_types.F | H A D | 18-May-2020 | 8.4 KiB | 207 | 127 |
| topology.F | H A D | 18-May-2020 | 32.1 KiB | 670 | 451 |
| topology_amber.F | H A D | 18-May-2020 | 81 KiB | 1,768 | 1,246 |
| topology_cif.F | H A D | 18-May-2020 | 18.6 KiB | 386 | 282 |
| topology_connectivity_util.F | H A D | 18-May-2020 | 63 KiB | 1,385 | 1,205 |
| topology_constraint_util.F | H A D | 18-May-2020 | 71.3 KiB | 1,406 | 1,138 |
| topology_coordinate_util.F | H A D | 18-May-2020 | 38 KiB | 806 | 646 |
| topology_cp2k.F | H A D | 18-May-2020 | 10.9 KiB | 238 | 185 |
| topology_generate_util.F | H A D | 18-May-2020 | 93.1 KiB | 2,076 | 1,690 |
| topology_gromos.F | H A D | 18-May-2020 | 39.1 KiB | 789 | 712 |
| topology_input.F | H A D | 18-May-2020 | 34.9 KiB | 616 | 515 |
| topology_multiple_unit_cell.F | H A D | 18-May-2020 | 7.5 KiB | 142 | 102 |
| topology_pdb.F | H A D | 18-May-2020 | 19 KiB | 399 | 290 |
| topology_psf.F | H A D | 18-May-2020 | 41.3 KiB | 902 | 754 |
| topology_types.F | H A D | 18-May-2020 | 36.3 KiB | 805 | 661 |
| topology_util.F | H A D | 18-May-2020 | 55.9 KiB | 1,281 | 942 |
| topology_xtl.F | H A D | 18-May-2020 | 16.1 KiB | 334 | 242 |
| topology_xyz.F | H A D | 18-May-2020 | 8.2 KiB | 180 | 134 |
| transport.F | H A D | 18-May-2020 | 39.7 KiB | 791 | 542 |
| transport_env_types.F | H A D | 18-May-2020 | 11.4 KiB | 258 | 171 |
| uff_vdw_radii_table.F | H A D | 18-May-2020 | 10.8 KiB | 178 | 142 |
| virial_methods.F | H A D | 18-May-2020 | 9.3 KiB | 207 | 121 |
| wannier90.F | H A D | 18-May-2020 | 46 KiB | 960 | 658 |
| wannier_states.F | H A D | 18-May-2020 | 8 KiB | 173 | 114 |
| wannier_states_types.F | H A D | 18-May-2020 | 1.1 KiB | 25 | 8 |
| xas_control.F | H A D | 18-May-2020 | 14.3 KiB | 349 | 237 |
| xas_env_types.F | H A D | 18-May-2020 | 21 KiB | 449 | 289 |
| xas_methods.F | H A D | 18-May-2020 | 81.7 KiB | 1,751 | 1,314 |
| xas_restart.F | H A D | 18-May-2020 | 23.4 KiB | 520 | 354 |
| xas_tdp_atom.F | H A D | 18-May-2020 | 153.4 KiB | 3,458 | 2,237 |
| xas_tdp_integrals.F | H A D | 18-May-2020 | 71.6 KiB | 1,531 | 1,020 |
| xas_tdp_kernel.F | H A D | 18-May-2020 | 66.5 KiB | 1,428 | 790 |
| xas_tdp_methods.F | H A D | 18-May-2020 | 138.9 KiB | 3,032 | 2,106 |
| xas_tdp_types.F | H A D | 18-May-2020 | 62.4 KiB | 1,356 | 910 |
| xas_tdp_utils.F | H A D | 18-May-2020 | 140.8 KiB | 2,889 | 1,806 |
| xas_tp_scf.F | H A D | 18-May-2020 | 34.8 KiB | 739 | 555 |
| xc_adiabatic_methods.F | H A D | 18-May-2020 | 5.7 KiB | 132 | 73 |
| xc_adiabatic_utils.F | H A D | 18-May-2020 | 9.1 KiB | 187 | 125 |
| xc_pot_saop.F | H A D | 18-May-2020 | 60.7 KiB | 1,293 | 981 |
| xc_write_output.F | H A D | 18-May-2020 | 5.3 KiB | 105 | 71 |
| xray_diffraction.F | H A D | 18-May-2020 | 37.8 KiB | 976 | 730 |
| xtb_coulomb.F | H A D | 18-May-2020 | 44.6 KiB | 977 | 784 |
| xtb_ehess.F | H A D | 18-May-2020 | 16.3 KiB | 352 | 272 |
| xtb_matrices.F | H A D | 18-May-2020 | 63.6 KiB | 1,383 | 1,155 |
| xtb_parameters.F | H A D | 18-May-2020 | 28.5 KiB | 636 | 480 |
| xtb_types.F | H A D | 18-May-2020 | 17.4 KiB | 382 | 230 |