Name | Date | Size | #Lines | LOC | ||
---|---|---|---|---|---|---|
.. | 13-Oct-2020 | - | ||||
GNUmakefile | H A D | 13-Oct-2020 | 1.6 KiB | 45 | 35 | |
chg_case.f | H A D | 13-Oct-2020 | 288 | 21 | 10 | |
cm_atom.inc | H A D | 13-Oct-2020 | 417 | 19 | 13 | |
cm_bond.inc | H A D | 13-Oct-2020 | 185 | 12 | 7 | |
cm_cons.inc | H A D | 13-Oct-2020 | 151 | 12 | 7 | |
cm_cuto.inc | H A D | 13-Oct-2020 | 97 | 9 | 5 | |
cm_elst.inc | H A D | 13-Oct-2020 | 129 | 10 | 6 | |
cm_ewld.inc | H A D | 13-Oct-2020 | 143 | 10 | 6 | |
cm_latt.inc | H A D | 13-Oct-2020 | 174 | 10 | 6 | |
cm_pote.inc | H A D | 13-Oct-2020 | 142 | 13 | 7 | |
cm_shel.inc | H A D | 13-Oct-2020 | 150 | 12 | 7 | |
cm_temp.inc | H A D | 13-Oct-2020 | 92 | 8 | 5 | |
cm_vlst.inc | H A D | 13-Oct-2020 | 123 | 10 | 6 | |
com_motion.f | H A D | 13-Oct-2020 | 753 | 47 | 28 | |
erfc.f | H A D | 13-Oct-2020 | 420 | 27 | 13 | |
ewald_excl.f | H A D | 13-Oct-2020 | 1.2 KiB | 61 | 38 | |
ewald_real.f | H A D | 13-Oct-2020 | 1.2 KiB | 60 | 37 | |
ewald_recp.f | H A D | 13-Oct-2020 | 2.7 KiB | 122 | 84 | |
ewald_self.f | H A D | 13-Oct-2020 | 417 | 32 | 16 | |
ewald_setp.f | H A D | 13-Oct-2020 | 1.1 KiB | 42 | 27 | |
extrct_char.f | H A D | 13-Oct-2020 | 387 | 26 | 12 | |
extrct_inte.f | H A D | 13-Oct-2020 | 792 | 43 | 29 | |
extrct_real.f | H A D | 13-Oct-2020 | 1.1 KiB | 63 | 48 | |
frce_bond.f | H A D | 13-Oct-2020 | 1.3 KiB | 67 | 40 | |
frce_shel.f | H A D | 13-Oct-2020 | 1.2 KiB | 64 | 37 | |
frce_shrt.f | H A D | 13-Oct-2020 | 2.1 KiB | 91 | 59 | |
init_velo.f | H A D | 13-Oct-2020 | 1.4 KiB | 76 | 48 | |
inte_leapf.f | H A D | 13-Oct-2020 | 912 | 50 | 28 | |
inte_shake.f | H A D | 13-Oct-2020 | 3.8 KiB | 169 | 113 | |
list_bonds.f | H A D | 13-Oct-2020 | 892 | 52 | 31 | |
list_const.f | H A D | 13-Oct-2020 | 729 | 47 | 27 | |
list_excld.f | H A D | 13-Oct-2020 | 1.3 KiB | 79 | 48 | |
list_shell.f | H A D | 13-Oct-2020 | 894 | 52 | 31 | |
list_verlt.f | H A D | 13-Oct-2020 | 1.4 KiB | 85 | 50 | |
md_frce.f | H A D | 13-Oct-2020 | 2.6 KiB | 143 | 90 | |
md_init.f | H A D | 13-Oct-2020 | 1.9 KiB | 77 | 31 | |
md_inpt.f | H A D | 13-Oct-2020 | 13.3 KiB | 392 | 351 | |
md_scle.f | H A D | 13-Oct-2020 | 331 | 31 | 15 | |
p_array.inc | H A D | 13-Oct-2020 | 502 | 21 | 18 | |
p_const.inc | H A D | 13-Oct-2020 | 344 | 13 | 10 | |
p_input.inc | H A D | 13-Oct-2020 | 224 | 13 | 10 | |
print_final.f | H A D | 13-Oct-2020 | 362 | 27 | 13 | |
print_output.f | H A D | 13-Oct-2020 | 863 | 40 | 23 | |
process_task.F | H A D | 13-Oct-2020 | 9 KiB | 347 | 175 | |
process_task.fh | H A D | 13-Oct-2020 | 737 | 23 | 18 | |
read_line.f | H A D | 13-Oct-2020 | 1 KiB | 57 | 35 | |
sched_groups.c | H A D | 13-Oct-2020 | 23.1 KiB | 813 | 560 | |
scle_velo.f | H A D | 13-Oct-2020 | 650 | 43 | 24 | |
shll_qnch.f | H A D | 13-Oct-2020 | 1.7 KiB | 63 | 43 | |
smd_atom.F | H A D | 13-Oct-2020 | 7.1 KiB | 295 | 175 | |
smd_bond.F | H A D | 13-Oct-2020 | 5 KiB | 199 | 134 | |
smd_bondlist.F | H A D | 13-Oct-2020 | 8.1 KiB | 308 | 224 | |
smd_charge.F | H A D | 13-Oct-2020 | 13.4 KiB | 575 | 330 | |
smd_charge_data.fh | H A D | 13-Oct-2020 | 87 | 9 | 5 | |
smd_const_data.fh | H A D | 13-Oct-2020 | 355 | 13 | 10 | |
smd_control_data.F | H A D | 13-Oct-2020 | 2.6 KiB | 124 | 69 | |
smd_control_data.fh | H A D | 13-Oct-2020 | 788 | 28 | 20 | |
smd_coordfile.F | H A D | 13-Oct-2020 | 1.9 KiB | 95 | 53 | |
smd_coords.F | H A D | 13-Oct-2020 | 10.8 KiB | 435 | 279 | |
smd_coulomb.F | H A D | 13-Oct-2020 | 684 | 33 | 17 | |
smd_cutoff_data.F | H A D | 13-Oct-2020 | 1.7 KiB | 92 | 49 | |
smd_cutoff_data.fh | H A D | 13-Oct-2020 | 132 | 9 | 6 | |
smd_data.F | H A D | 13-Oct-2020 | 6.7 KiB | 325 | 238 | |
smd_data.fh | H A D | 13-Oct-2020 | 953 | 38 | 30 | |
smd_end.F | H A D | 13-Oct-2020 | 350 | 24 | 8 | |
smd_energy.F | H A D | 13-Oct-2020 | 8.3 KiB | 356 | 232 | |
smd_energy_data.fh | H A D | 13-Oct-2020 | 173 | 12 | 7 | |
smd_ewald.F | H A D | 13-Oct-2020 | 16 KiB | 613 | 413 | |
smd_ewald_data.F | H A D | 13-Oct-2020 | 1.7 KiB | 101 | 55 | |
smd_ewald_data.fh | H A D | 13-Oct-2020 | 131 | 10 | 6 | |
smd_ewald_generic.F | H A D | 13-Oct-2020 | 7.4 KiB | 328 | 228 | |
smd_exlist.F | H A D | 13-Oct-2020 | 4.5 KiB | 196 | 105 | |
smd_force.F | H A D | 13-Oct-2020 | 3.8 KiB | 184 | 103 | |
smd_geom.F | H A D | 13-Oct-2020 | 12.1 KiB | 485 | 318 | |
smd_init.F | H A D | 13-Oct-2020 | 7.5 KiB | 340 | 211 | |
smd_input.F | H A D | 13-Oct-2020 | 7.7 KiB | 307 | 235 | |
smd_lat.F | H A D | 13-Oct-2020 | 7.2 KiB | 300 | 194 | |
smd_lat_new.F | H A D | 13-Oct-2020 | 14.1 KiB | 481 | 391 | |
smd_leapf.F | H A D | 13-Oct-2020 | 972 | 48 | 30 | |
smd_leapf_shake.F | H A D | 13-Oct-2020 | 4.5 KiB | 186 | 132 | |
smd_mass.F | H A D | 13-Oct-2020 | 2.8 KiB | 127 | 76 | |
smd_monomer.F | H A D | 13-Oct-2020 | 3.5 KiB | 126 | 76 | |
smd_monomer.dft.F | H A D | 13-Oct-2020 | 1.8 KiB | 80 | 52 | |
smd_monomer_profile.F | H A D | 13-Oct-2020 | 1.2 KiB | 61 | 35 | |
smd_param.F | H A D | 13-Oct-2020 | 3.5 KiB | 139 | 84 | |
smd_paramfile.F | H A D | 13-Oct-2020 | 10.1 KiB | 460 | 324 | |
smd_pdb.F | H A D | 13-Oct-2020 | 6.1 KiB | 267 | 200 | |
smd_pot.F | H A D | 13-Oct-2020 | 7.8 KiB | 294 | 202 | |
smd_pot_generic.F | H A D | 13-Oct-2020 | 3.4 KiB | 148 | 90 | |
smd_rdinp.F | H A D | 13-Oct-2020 | 933 | 39 | 6 | |
smd_res.F | H A D | 13-Oct-2020 | 1.9 KiB | 72 | 44 | |
smd_rtdb_data.F | H A D | 13-Oct-2020 | 3 KiB | 160 | 79 | |
smd_rtdb_data.fh | H A D | 13-Oct-2020 | 311 | 14 | 11 | |
smd_shake.F | H A D | 13-Oct-2020 | 3.6 KiB | 141 | 91 | |
smd_shakelist.F | H A D | 13-Oct-2020 | 6.5 KiB | 251 | 179 | |
smd_sizes.fh | H A D | 13-Oct-2020 | 86 | 7 | 5 | |
smd_system.F | H A D | 13-Oct-2020 | 4.2 KiB | 213 | 115 | |
smd_system.fh | H A D | 13-Oct-2020 | 401 | 21 | 15 | |
smd_system_data.F | H A D | 13-Oct-2020 | 3.6 KiB | 168 | 94 | |
smd_system_data.fh | H A D | 13-Oct-2020 | 276 | 14 | 9 | |
smd_task_data.fh | H A D | 13-Oct-2020 | 258 | 14 | 9 | |
smd_temper_data.F | H A D | 13-Oct-2020 | 1.6 KiB | 79 | 40 | |
smd_temper_data.fh | H A D | 13-Oct-2020 | 174 | 10 | 7 | |
smd_type.F | H A D | 13-Oct-2020 | 4 KiB | 171 | 114 | |
smd_util.F | H A D | 13-Oct-2020 | 1.5 KiB | 77 | 53 | |
smd_vel.F | H A D | 13-Oct-2020 | 11 KiB | 512 | 315 | |
smd_vlist.F | H A D | 13-Oct-2020 | 20.4 KiB | 880 | 554 | |
task_smd.F | H A D | 13-Oct-2020 | 3.1 KiB | 133 | 69 | |
task_smd_dynamics.F | H A D | 13-Oct-2020 | 1.9 KiB | 75 | 52 | |
task_smd_energy.F | H A D | 13-Oct-2020 | 10.8 KiB | 414 | 230 | |
tool_invrt.f | H A D | 13-Oct-2020 | 1.1 KiB | 39 | 26 | |
tool_randm.f | H A D | 13-Oct-2020 | 897 | 51 | 33 | |
tool_rebox.f | H A D | 13-Oct-2020 | 774 | 36 | 20 | |
tool_volme.f | H A D | 13-Oct-2020 | 349 | 22 | 10 | |
verlt_test.f | H A D | 13-Oct-2020 | 1.2 KiB | 86 | 49 |