| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
| H A D | md_energies.F | 265 pv_scalar, pv_xx, pv_xx_nc local
328 pv_xx = cp_unit_from_cp2k(virial%pv_total(1, 1)/cell%deth, "bar")
383 … pv_xx, used_time, hugoniot, abc, cell_angle, nat, itimes, time, my_pos, &
389 … cell_angle, itimes, dt, time, used_time, averages, econs, pv_scalar, pv_xx, &
601 pv_xx, hugoniot, nat, init, logger, motion_section, my_pos, my_act) argument
614 REAL(KIND=dp), INTENT(IN) :: econs, pv_scalar, pv_xx, hugoniot local
742 '[bar]', '= ', pv_xx, averages%avepxx
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| H A D | averages_types.F | 215 … pv_scalar, pv_xx, used_time, hugoniot, abc, cell_angle, nat, itimes, & argument
222 REAL(KIND=dp), INTENT(IN) :: pv_scalar, pv_xx local
332 averages%avepxx = pv_xx
367 CALL get_averages(averages%avepxx, pv_xx, delta_t)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
| H A D | md_energies.F | 265 pv_scalar, pv_xx, pv_xx_nc local
328 pv_xx = cp_unit_from_cp2k(virial%pv_total(1, 1)/cell%deth, "bar")
383 … pv_xx, used_time, hugoniot, abc, cell_angle, nat, itimes, time, my_pos, &
389 … cell_angle, itimes, dt, time, used_time, averages, econs, pv_scalar, pv_xx, &
601 pv_xx, hugoniot, nat, init, logger, motion_section, my_pos, my_act) argument
614 REAL(KIND=dp), INTENT(IN) :: econs, pv_scalar, pv_xx, hugoniot local
742 '[bar]', '= ', pv_xx, averages%avepxx
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| H A D | averages_types.F | 215 … pv_scalar, pv_xx, used_time, hugoniot, abc, cell_angle, nat, itimes, & argument
222 REAL(KIND=dp), INTENT(IN) :: pv_scalar, pv_xx local
332 averages%avepxx = pv_xx
367 CALL get_averages(averages%avepxx, pv_xx, delta_t)
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