| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mdctrl_types.F | 23 INTEGER :: itimes component
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| H A D | motion_utils.F | 509 SUBROUTINE write_stress_tensor(virial, cell, motion_section, itimes, time, pos, & argument
515 INTEGER, INTENT(IN) :: itimes local
585 SUBROUTINE write_simulation_cell(cell, motion_section, itimes, time, pos, act) argument
589 INTEGER, INTENT(IN) :: itimes local
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| H A D | metadynamics.F | 126 SUBROUTINE metadyn_initialise_plumed(force_env, simpar, itimes) argument
130 INTEGER, INTENT(IN) :: itimes local
223 SUBROUTINE metadyn_integrator(force_env, itimes, vel, rand) argument
225 INTEGER, INTENT(IN) :: itimes local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mdctrl_types.F | 23 INTEGER :: itimes component
|
| H A D | metadynamics.F | 127 SUBROUTINE metadyn_initialise_plumed(force_env, simpar, itimes) argument
131 INTEGER, INTENT(IN) :: itimes local
224 SUBROUTINE metadyn_integrator(force_env, itimes, vel, rand) argument
226 INTEGER, INTENT(IN) :: itimes local
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| H A D | motion_utils.F | 509 SUBROUTINE write_stress_tensor(virial, cell, motion_section, itimes, time, pos, & argument
515 INTEGER, INTENT(IN) :: itimes local
585 SUBROUTINE write_simulation_cell(cell, motion_section, itimes, time, pos, act) argument
589 INTEGER, INTENT(IN) :: itimes local
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| H A D | qs_linres_polar_utils.F | 523 SUBROUTINE write_polarisability_tensor(force_env, motion_section, itimes, time, pos, act) argument
527 INTEGER, INTENT(IN) :: itimes local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
| H A D | md_environment_types.F | 64 INTEGER, POINTER :: itimes component
214 SUBROUTINE get_md_env(md_env, itimes, constant, used_time, cell, simpar, npt, & argument
221 INTEGER, OPTIONAL, POINTER :: itimes local
318 SUBROUTINE set_md_env(md_env, itimes, constant, cell, simpar, fe_env, force_env, & argument
323 INTEGER, OPTIONAL, POINTER :: itimes local
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| H A D | glbopt_callback.F | 50 INTEGER, POINTER :: itimes local
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| H A D | thermal_region_utils.F | 214 SUBROUTINE print_thermal_regions_temperature(thermal_regions, itimes, time, pos, act) argument
216 INTEGER, INTENT(IN) :: itimes local
|
| H A D | integrator.F | 134 INTEGER, POINTER :: itimes local
393 INTEGER, POINTER :: itimes local
605 INTEGER, POINTER :: itimes local
724 INTEGER, POINTER :: itimes local
934 INTEGER, POINTER :: itimes local
1179 INTEGER, POINTER :: itimes local
1504 INTEGER, POINTER :: itimes local
1647 INTEGER, POINTER :: itimes local
1892 INTEGER, POINTER :: itimes local
2147 INTEGER, POINTER :: itimes local
[all …]
|
| H A D | md_energies.F | 261 INTEGER, POINTER :: itimes local
600 … abc, cell_angle, itimes, dt, time, used_time, averages, econs, pv_scalar, & argument
610 INTEGER, POINTER :: itimes local
|
| H A D | reftraj_types.F | 64 INTEGER :: itimes component
|
| H A D | averages_types.F | 215 … pv_scalar, pv_xx, used_time, hugoniot, abc, cell_angle, nat, itimes, & argument
226 INTEGER, INTENT(IN) :: nat, itimes local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
| H A D | md_environment_types.F | 64 INTEGER, POINTER :: itimes component
214 SUBROUTINE get_md_env(md_env, itimes, constant, used_time, cell, simpar, npt, & argument
221 INTEGER, OPTIONAL, POINTER :: itimes local
318 SUBROUTINE set_md_env(md_env, itimes, constant, cell, simpar, fe_env, force_env, & argument
323 INTEGER, OPTIONAL, POINTER :: itimes local
|
| H A D | glbopt_callback.F | 50 INTEGER, POINTER :: itimes local
|
| H A D | thermal_region_utils.F | 214 SUBROUTINE print_thermal_regions_temperature(thermal_regions, itimes, time, pos, act) argument
216 INTEGER, INTENT(IN) :: itimes local
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| H A D | integrator.F | 136 INTEGER, POINTER :: itimes local
395 INTEGER, POINTER :: itimes local
607 INTEGER, POINTER :: itimes local
726 INTEGER, POINTER :: itimes local
938 INTEGER, POINTER :: itimes local
1185 INTEGER, POINTER :: itimes local
1512 INTEGER, POINTER :: itimes local
1655 INTEGER, POINTER :: itimes local
1900 INTEGER, POINTER :: itimes local
2155 INTEGER, POINTER :: itimes local
[all …]
|
| H A D | md_energies.F | 261 INTEGER, POINTER :: itimes local
600 … abc, cell_angle, itimes, dt, time, used_time, averages, econs, pv_scalar, & argument
610 INTEGER, POINTER :: itimes local
|
| H A D | reftraj_types.F | 64 INTEGER :: itimes component
|
| H A D | averages_types.F | 215 … pv_scalar, pv_xx, used_time, hugoniot, abc, cell_angle, nat, itimes, & argument
226 INTEGER, INTENT(IN) :: nat, itimes local
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/thermostat/ |
| H A D | barostat_utils.F | 101 SUBROUTINE print_barostat_status(barostat, simpar, my_pos, my_act, cell, itimes, time) argument
106 INTEGER, INTENT(IN) :: itimes local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/thermostat/ |
| H A D | barostat_utils.F | 101 SUBROUTINE print_barostat_status(barostat, simpar, my_pos, my_act, cell, itimes, time) argument
106 INTEGER, INTENT(IN) :: itimes local
|
| /dports/science/elk/elk-7.2.42/src/ |
| H A D | modtddft.f90 | 40 integer itimes variable
|
| /dports/comms/owfs/owfs-3.2p4/module/owlib/src/c/ |
| H A D | ow_2415.c | 93 static int itimes[] = { 1, 4, 32, 64, 2048, 4096, 65536, 131072, }; variable
|