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Searched defs:energy_check (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/
H A Dmc_ge_moves.F99 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
H A Dmc_misc.F113 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
H A Dtamc_run.F1010 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
H A Dmc_moves.F959 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
H A Dmc_ensembles.F159 … REAL(KIND=dp), DIMENSION(1:nboxes) :: bias_energy, energy_check, final_energy, & local
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/
H A Dmc_ge_moves.F100 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
H A Dmc_misc.F113 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
H A Dtamc_run.F1020 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
H A Dmc_moves.F960 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
H A Dmc_ensembles.F160 … REAL(KIND=dp), DIMENSION(1:nboxes) :: bias_energy, energy_check, final_energy, & local