| Name | Date | Size | #Lines | LOC | ||
|---|---|---|---|---|---|---|
| .. | 13-Oct-2020 | - | ||||
| GNUmakefile | H A D | 13-Oct-2020 | 692 | 32 | 19 | |
| mm_interface.F | H A D | 13-Oct-2020 | 106 KiB | 4,703 | 3,009 | |
| mm_utils.F | H A D | 13-Oct-2020 | 14.9 KiB | 745 | 417 | |
| mm_utils.fh | H A D | 13-Oct-2020 | 1.3 KiB | 73 | 49 | |
| qmmm.F | H A D | 13-Oct-2020 | 5.7 KiB | 242 | 150 | |
| qmmm.fh | H A D | 13-Oct-2020 | 3.1 KiB | 136 | 106 | |
| qmmm_bq.F | H A D | 13-Oct-2020 | 6.1 KiB | 213 | 129 | |
| qmmm_bq_data.F | H A D | 13-Oct-2020 | 19.5 KiB | 862 | 515 | |
| qmmm_bq_data.fh | H A D | 13-Oct-2020 | 1.4 KiB | 52 | 47 | |
| qmmm_check_forces.F | H A D | 13-Oct-2020 | 15 KiB | 523 | 354 | |
| qmmm_cons.F | H A D | 13-Oct-2020 | 23.8 KiB | 987 | 670 | |
| qmmm_cons_data.fh | H A D | 13-Oct-2020 | 448 | 20 | 15 | |
| qmmm_data.F | H A D | 13-Oct-2020 | 9.8 KiB | 398 | 239 | |
| qmmm_data.fh | H A D | 13-Oct-2020 | 766 | 33 | 27 | |
| qmmm_esp.F | H A D | 13-Oct-2020 | 27.7 KiB | 1,030 | 648 | |
| qmmm_geom.F | H A D | 13-Oct-2020 | 30 KiB | 1,174 | 739 | |
| qmmm_geom_data.fh | H A D | 13-Oct-2020 | 475 | 25 | 19 | |
| qmmm_input.F | H A D | 13-Oct-2020 | 24.3 KiB | 840 | 630 | |
| qmmm_lbfgsb.F | H A D | 13-Oct-2020 | 18.2 KiB | 529 | 222 | |
| qmmm_link.F | H A D | 13-Oct-2020 | 8.1 KiB | 376 | 242 | |
| qmmm_link_data.fh | H A D | 13-Oct-2020 | 281 | 18 | 12 | |
| qmmm_main.F | H A D | 13-Oct-2020 | 2.2 KiB | 84 | 50 | |
| qmmm_output.F | H A D | 13-Oct-2020 | 11 KiB | 413 | 247 | |
| qmmm_params.fh | H A D | 13-Oct-2020 | 1.5 KiB | 59 | 53 | |
| qmmm_pes.F | H A D | 13-Oct-2020 | 12.5 KiB | 425 | 317 | |
| qmmm_property.F | H A D | 13-Oct-2020 | 1.1 KiB | 56 | 23 | |
| qmmm_utils.F | H A D | 13-Oct-2020 | 15.1 KiB | 716 | 501 | |
| qmmm_utils.fh | H A D | 13-Oct-2020 | 60 | 7 | 3 | |
| task_qmmm_abc.F | H A D | 13-Oct-2020 | 20.5 KiB | 786 | 511 | |
| task_qmmm_dynamics.F | H A D | 13-Oct-2020 | 9.3 KiB | 341 | 219 | |
| task_qmmm_energy.F | H A D | 13-Oct-2020 | 48.9 KiB | 1,777 | 1,227 | |
| task_qmmm_fep.F | H A D | 13-Oct-2020 | 40.8 KiB | 1,446 | 1,061 | |
| task_qmmm_gradient.F | H A D | 13-Oct-2020 | 21.6 KiB | 827 | 515 | |
| task_qmmm_optimize.F | H A D | 13-Oct-2020 | 22.5 KiB | 844 | 541 |