/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
H A D | mc_ge_moves.F | 99 lreject, move_updates, energy_check, r_old, & argument 110 REAL(KIND=dp), DIMENSION(:), INTENT(INOUT) :: energy_check local 423 energy_check, r_old, old_energy, input_declaration, & argument 431 REAL(KIND=dp), DIMENSION(1:2), INTENT(INOUT) :: energy_check local 1131 nnstep, old_energy, energy_check, r_old, rng_stream) argument 1138 REAL(KIND=dp), DIMENSION(:), INTENT(INOUT) :: old_energy, energy_check local
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H A D | mc_misc.F | 113 SUBROUTINE final_mc_write(mc_par, all_moves, iw, energy_check, initial_energy, & argument 119 REAL(KIND=dp), INTENT(IN) :: energy_check, initial_energy, & local
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H A D | tamc_run.F | 1010 REAL(KIND=dp) :: energy_check, old_epx, old_epz, t1 local 1130 energy_check, r, output_unit, rng_stream, zbuff) argument 1136 REAL(KIND=dp), INTENT(INOUT) :: old_epx, old_epz, energy_check local
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H A D | mc_moves.F | 959 energy_check, r_old, iw, discrete_array, rng_stream) argument 966 REAL(KIND=dp), INTENT(INOUT) :: energy_check local 1946 energy_check, r_old, old_energy, start_atom_swap, & argument 1954 REAL(KIND=dp), INTENT(INOUT) :: energy_check local 2347 energy_check, r_old, rng_stream) argument 2355 REAL(KIND=dp), INTENT(INOUT) :: energy_check local
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H A D | mc_ensembles.F | 159 … REAL(KIND=dp), DIMENSION(1:nboxes) :: bias_energy, energy_check, final_energy, & local
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
H A D | mc_ge_moves.F | 100 lreject, move_updates, energy_check, r_old, & argument 111 REAL(KIND=dp), DIMENSION(:), INTENT(INOUT) :: energy_check local 424 energy_check, r_old, old_energy, input_declaration, & argument 432 REAL(KIND=dp), DIMENSION(1:2), INTENT(INOUT) :: energy_check local 1132 nnstep, old_energy, energy_check, r_old, rng_stream) argument 1139 REAL(KIND=dp), DIMENSION(:), INTENT(INOUT) :: old_energy, energy_check local
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H A D | mc_misc.F | 113 SUBROUTINE final_mc_write(mc_par, all_moves, iw, energy_check, initial_energy, & argument 119 REAL(KIND=dp), INTENT(IN) :: energy_check, initial_energy, & local
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H A D | tamc_run.F | 1020 REAL(KIND=dp) :: energy_check, old_epx, old_epz, t1 local 1140 energy_check, r, output_unit, rng_stream, zbuff) argument 1146 REAL(KIND=dp), INTENT(INOUT) :: old_epx, old_epz, energy_check local
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H A D | mc_moves.F | 960 energy_check, r_old, iw, discrete_array, rng_stream) argument 967 REAL(KIND=dp), INTENT(INOUT) :: energy_check local 1947 energy_check, r_old, old_energy, start_atom_swap, & argument 1955 REAL(KIND=dp), INTENT(INOUT) :: energy_check local 2348 energy_check, r_old, rng_stream) argument 2356 REAL(KIND=dp), INTENT(INOUT) :: energy_check local
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H A D | mc_ensembles.F | 160 … REAL(KIND=dp), DIMENSION(1:nboxes) :: bias_energy, energy_check, final_energy, & local
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