| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/ |
| H A D | libcp2k.F | 125 SUBROUTINE cp2k_create_force_env(new_env_id, input_file_path, output_file_path) BIND(C) argument
126 INTEGER(C_INT), INTENT(OUT) :: new_env_id local
139 CALL create_force_env(new_env_id, input_declaration, ifp, ofp, ierr=ierr)
151 …SUBROUTINE cp2k_create_force_env_comm(new_env_id, input_file_path, output_file_path, mpi_comm) BIN… argument
152 INTEGER(C_INT), INTENT(OUT) :: new_env_id local
166 CALL create_force_env(new_env_id, input_declaration, ifp, ofp, mpi_comm, ierr=ierr)
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| H A D | cp2k_runs.F | 179 method_name_id, new_env_id, & local
276 CALL create_force_env(new_env_id, &
284 CALL f_env_add_defaults(new_env_id, f_env, handle=f_env_handle)
416 CALL destroy_force_env(new_env_id, ierr=ierr)
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| H A D | cp2k_shell.F | 476 CALL create_force_env(new_env_id=shell%env_id, &
506 CALL create_force_env(new_env_id=shell%env_id, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/start/ |
| H A D | libcp2k.F | 124 SUBROUTINE cp2k_create_force_env(new_env_id, input_file_path, output_file_path) BIND(C) argument
125 INTEGER(C_INT), INTENT(OUT) :: new_env_id local
138 CALL create_force_env(new_env_id, input_declaration, ifp, ofp, ierr=ierr)
150 …SUBROUTINE cp2k_create_force_env_comm(new_env_id, input_file_path, output_file_path, mpi_comm) BIN… argument
151 INTEGER(C_INT), INTENT(OUT) :: new_env_id local
165 CALL create_force_env(new_env_id, input_declaration, ifp, ofp, mpi_comm, ierr=ierr)
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| H A D | cp2k_runs.F | 179 method_name_id, new_env_id, & local
277 CALL create_force_env(new_env_id, &
285 CALL f_env_add_defaults(new_env_id, f_env, handle=f_env_handle)
418 CALL destroy_force_env(new_env_id, ierr=ierr)
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| H A D | cp2k_shell.F | 475 CALL create_force_env(new_env_id=shell%env_id, &
505 CALL create_force_env(new_env_id=shell%env_id, &
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | replica_methods.F | 105 my_prep, new_env_id, nparticle, nrep_local, unit_nr local
120 new_env_id = -1
216 CALL create_force_env(new_env_id, input_declaration, input_file_path, &
227 rep_env%f_env_id = new_env_id
228 CALL get_nparticle(new_env_id, nparticle, ierr)
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| H A D | optimize_input.F | 171 mpi_comm_slave_primus, n_atom, n_el, n_frames, n_free_var, n_groups, n_var, new_env_id, & local
323 CALL create_force_env(new_env_id=new_env_id, input_declaration=input_declaration, &
337 CALL set_cell(env_id=new_env_id, new_cell=cell_traj(:, :, i_frame), ierr=ierr)
351 …CALL calc_force(env_id=new_env_id, pos=pos, n_el_pos=n_el, e_pot=e_pot, force=force, n_el_force=n_…
368 CALL destroy_force_env(env_id=new_env_id, ierr=ierr)
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| H A D | f77_interface.F | 548 RECURSIVE SUBROUTINE create_force_env(new_env_id, input_declaration, input_path, & argument
551 INTEGER, INTENT(out) :: new_env_id local
598 new_env_id = -1
900 new_env_id = last_f_env_id
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | replica_methods.F | 105 my_prep, new_env_id, nparticle, nrep_local, unit_nr local
120 new_env_id = -1
216 CALL create_force_env(new_env_id, input_declaration, input_file_path, &
227 rep_env%f_env_id = new_env_id
228 CALL get_nparticle(new_env_id, nparticle, ierr)
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| H A D | optimize_input.F | 176 mpi_comm_slave_primus, n_atom, n_el, n_frames, n_free_var, n_groups, n_var, new_env_id, & local
328 CALL create_force_env(new_env_id=new_env_id, input_declaration=input_declaration, &
342 CALL set_cell(env_id=new_env_id, new_cell=cell_traj(:, :, i_frame), ierr=ierr)
356 …CALL calc_force(env_id=new_env_id, pos=pos, n_el_pos=n_el, e_pot=e_pot, force=force, n_el_force=n_…
373 CALL destroy_force_env(env_id=new_env_id, ierr=ierr)
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| H A D | f77_interface.F | 550 RECURSIVE SUBROUTINE create_force_env(new_env_id, input_declaration, input_path, & argument
553 INTEGER, INTENT(out) :: new_env_id local
600 new_env_id = -1
902 new_env_id = last_f_env_id
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/tmc/ |
| H A D | tmc_setup.F | 234 CALL create_force_env(new_env_id=tmc_env%w_env%env_id_ener, &
248 CALL create_force_env(new_env_id=tmc_env%w_env%env_id_approx, &
531 CALL create_force_env(new_env_id=env_id, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/tmc/ |
| H A D | tmc_setup.F | 235 CALL create_force_env(new_env_id=tmc_env%w_env%env_id_ener, &
249 CALL create_force_env(new_env_id=tmc_env%w_env%env_id_approx, &
533 CALL create_force_env(new_env_id=env_id, &
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