| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | manybody_siepmann.F | 175 INTEGER, INTENT(IN) :: iparticle, jparticle, n_loc_size local
230 SUBROUTINE siep_a_ij_d(siepmann, r_last_update_pbc, iparticle, jparticle, f_nonbond, & argument
235 INTEGER, INTENT(IN) :: iparticle, jparticle local
328 INTEGER, INTENT(IN) :: iparticle, jparticle local
426 SUBROUTINE siep_Phi_ij_d(siepmann, r_last_update_pbc, iparticle, jparticle, f_nonbond, & argument
430 INTEGER, INTENT(IN) :: iparticle, jparticle local
552 full_loc_list, iparticle, jparticle, f_nonbond, & argument
559 INTEGER, INTENT(IN) :: iparticle, jparticle local
645 iparticle, jparticle, f_nonbond, use_virial, rcutsq, particle_set) argument
650 INTEGER, INTENT(IN) :: iparticle, jparticle local
|
| H A D | cp_ddapc_util.F | 225 iparticle, iparticle0, ispin, iw, j, & local
555 INTEGER :: handle, idim, ig, igauss, iparticle, & local
632 INTEGER :: handle, idim, ig, igauss, iparticle local
695 rho_tot_g, gcut, iparticle, Vol, qs_env) argument
701 INTEGER, INTENT(in) :: iparticle local
769 rho_tot_g, gcut, iparticle, Vol, qs_env) argument
775 INTEGER, INTENT(in) :: iparticle local
861 INTEGER :: handle, i, iparticle, kk, ndim local
|
| H A D | manybody_tersoff.F | 266 INTEGER, INTENT(IN) :: iparticle, jparticle, n_loc_size local
304 INTEGER, INTENT(IN) :: iparticle, jparticle, n_loc_size local
351 INTEGER, INTENT(IN) :: iparticle, jparticle, n_loc_size local
410 …SUBROUTINE ter_zeta_ij_d(tersoff, r_last_update_pbc, iparticle, jparticle, f_nonbond, pv_nonbond, … argument
414 INTEGER, INTENT(IN) :: iparticle, jparticle local
583 … full_loc_list, loc_cell_v, iparticle, jparticle, f_nonbond, pv_nonbond, & argument
591 INTEGER, INTENT(IN) :: iparticle, jparticle local
|
| H A D | force_env_utils.F | 82 INTEGER :: handle, i, iparticle, iparticle_kind, iparticle_local, j, my_lagrange_mult, & local
251 INTEGER :: handle, i, iparticle, iparticle_kind, iparticle_local, j, my_lagrange_mult, & local
375 INTEGER :: handle, iparticle local
510 INTEGER :: i, ikind, iparticle, n local
|
| H A D | fp_methods.F | 61 INTEGER :: handle, i, icenter, iparticle, & local
|
| H A D | constraint_fxd.F | 70 INTEGER :: handle, i, ifixd, ii, ikind, iparticle, iparticle_local, my_atm_fixed, natom, & local
431 INTEGER :: handle, i, ikind, iparticle, & local
|
| H A D | input_cp2k_binary_restarts.F | 308 INTEGER :: handle, input_unit, iparticle, istat, & local
507 … INTEGER :: handle, i, input_unit, iparticle, istat, & local
|
| H A D | virial_methods.F | 87 INTEGER :: handle, i, iparticle, iparticle_kind, & local
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | manybody_siepmann.F | 175 INTEGER, INTENT(IN) :: iparticle, jparticle, n_loc_size local
230 SUBROUTINE siep_a_ij_d(siepmann, r_last_update_pbc, iparticle, jparticle, f_nonbond, & argument
235 INTEGER, INTENT(IN) :: iparticle, jparticle local
328 INTEGER, INTENT(IN) :: iparticle, jparticle local
426 SUBROUTINE siep_Phi_ij_d(siepmann, r_last_update_pbc, iparticle, jparticle, f_nonbond, & argument
430 INTEGER, INTENT(IN) :: iparticle, jparticle local
552 full_loc_list, iparticle, jparticle, f_nonbond, & argument
559 INTEGER, INTENT(IN) :: iparticle, jparticle local
645 iparticle, jparticle, f_nonbond, use_virial, rcutsq, particle_set) argument
650 INTEGER, INTENT(IN) :: iparticle, jparticle local
|
| H A D | cp_ddapc_util.F | 225 iparticle, iparticle0, ispin, iw, j, & local
555 INTEGER :: handle, idim, ig, igauss, iparticle, & local
632 INTEGER :: handle, idim, ig, igauss, iparticle local
695 rho_tot_g, gcut, iparticle, Vol, qs_env) argument
701 INTEGER, INTENT(in) :: iparticle local
769 rho_tot_g, gcut, iparticle, Vol, qs_env) argument
775 INTEGER, INTENT(in) :: iparticle local
861 INTEGER :: handle, i, iparticle, kk, ndim local
|
| H A D | manybody_tersoff.F | 266 INTEGER, INTENT(IN) :: iparticle, jparticle, n_loc_size local
304 INTEGER, INTENT(IN) :: iparticle, jparticle, n_loc_size local
351 INTEGER, INTENT(IN) :: iparticle, jparticle, n_loc_size local
410 …SUBROUTINE ter_zeta_ij_d(tersoff, r_last_update_pbc, iparticle, jparticle, f_nonbond, pv_nonbond, … argument
414 INTEGER, INTENT(IN) :: iparticle, jparticle local
583 … full_loc_list, loc_cell_v, iparticle, jparticle, f_nonbond, pv_nonbond, & argument
591 INTEGER, INTENT(IN) :: iparticle, jparticle local
|
| H A D | force_env_utils.F | 82 INTEGER :: handle, i, iparticle, iparticle_kind, iparticle_local, j, my_lagrange_mult, & local
251 INTEGER :: handle, i, iparticle, iparticle_kind, iparticle_local, j, my_lagrange_mult, & local
375 INTEGER :: handle, iparticle local
510 INTEGER :: i, ikind, iparticle, n local
|
| H A D | fp_methods.F | 61 INTEGER :: handle, i, icenter, iparticle, & local
|
| H A D | constraint_fxd.F | 70 INTEGER :: handle, i, ifixd, ii, ikind, iparticle, iparticle_local, my_atm_fixed, natom, & local
431 INTEGER :: handle, i, ikind, iparticle, & local
|
| H A D | input_cp2k_binary_restarts.F | 308 INTEGER :: handle, input_unit, iparticle, istat, & local
507 … INTEGER :: handle, i, input_unit, iparticle, istat, & local
|
| H A D | virial_methods.F | 87 INTEGER :: handle, i, iparticle, iparticle_kind, & local
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
| H A D | wiener_process.F | 69 INTEGER :: iparticle, iparticle_kind, & local
173 INTEGER :: iparticle, iparticle_kind, & local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
| H A D | wiener_process.F | 69 INTEGER :: iparticle, iparticle_kind, & local
173 INTEGER :: iparticle, iparticle_kind, & local
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
| H A D | particle_types.F | 73 INTEGER :: iparticle local
134 INTEGER :: handle, iparticle, nparticle local
|
| H A D | multipole_types.F | 76 INTEGER :: i, ind2, iparticle, j, n_rep, nparticles local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
| H A D | particle_types.F | 73 INTEGER :: iparticle local
134 INTEGER :: handle, iparticle, nparticle local
|
| H A D | multipole_types.F | 76 INTEGER :: i, ind2, iparticle, j, n_rep, nparticles local
|
| /dports/science/py-rmf/rmf-1.3.1/tools/build/ |
| H A D | make_decorators.py | 28 iparticle = Decorator(["REPRESENTATION"], "physics", variable
|
| /dports/science/rmf/rmf-1.3.1/tools/build/ |
| H A D | make_decorators.py | 28 iparticle = Decorator(["REPRESENTATION"], "physics", variable
|
| /dports/science/sparta/sparta-20Oct2021/src/KOKKOS/ |
| H A D | particle_kokkos.cpp | 334 const int iparticle = d_plist(icell,j); in operator ()() local
394 const int iparticle = d_plist(icell,j); in operator ()() local
422 const int iparticle = d_plist(icell,j); in operator ()() local
|