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Searched defs:eip_env (Results 1 – 12 of 12) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Deip_environment_types.F125 SUBROUTINE eip_env_retain(eip_env) argument
127 TYPE(eip_environment_type), POINTER :: eip_env local
145 SUBROUTINE eip_env_release(eip_env) argument
147 TYPE(eip_environment_type), POINTER :: eip_env local
217 SUBROUTINE eip_env_get(eip_env, id_nr, eip_model, eip_energy, eip_energy_var, & argument
225 TYPE(eip_environment_type), POINTER :: eip_env local
336 TYPE(eip_environment_type), POINTER :: eip_env local
434 SUBROUTINE eip_env_clear(eip_env) argument
436 TYPE(eip_environment_type), POINTER :: eip_env local
476 SUBROUTINE eip_env_create(eip_env) argument
[all …]
H A Deip_environment.F69 SUBROUTINE eip_init(eip_env, root_section, para_env, force_env_section, & argument
71 TYPE(eip_environment_type), POINTER :: eip_env local
134 SUBROUTINE eip_init_subsys(eip_env, subsys, cell, cell_ref, use_ref_cell, subsys_section) argument
135 TYPE(eip_environment_type), POINTER :: eip_env local
211 SUBROUTINE eip_init_model(eip_env) argument
212 TYPE(eip_environment_type), POINTER :: eip_env local
H A Deip_silicon.F73 SUBROUTINE eip_bazant(eip_env) argument
74 TYPE(eip_environment_type), POINTER :: eip_env local
239 SUBROUTINE eip_lenosky(eip_env) argument
240 TYPE(eip_environment_type), POINTER :: eip_env local
404 SUBROUTINE eip_print_energies(eip_env, output_unit) argument
405 TYPE(eip_environment_type), POINTER :: eip_env local
430 SUBROUTINE eip_print_energy_var(eip_env, output_unit) argument
462 SUBROUTINE eip_print_forces(eip_env, output_unit) argument
504 SUBROUTINE eip_print_coord_avg(eip_env, output_unit) argument
536 SUBROUTINE eip_print_coord_var(eip_env, output_unit) argument
[all …]
H A Dforce_env_types.F142 TYPE(eip_environment_type), POINTER :: eip_env component
305 … qmmm_env, qmmmx_env, eip_env, pwdft_env, globenv, input, force_env_section, & argument
323 TYPE(eip_environment_type), OPTIONAL, POINTER :: eip_env local
H A Dforce_env_methods.F753 … qs_env, meta_env, sub_force_env, qmmm_env, qmmmx_env, eip_env, pwdft_env, force_env_section, & argument
767 TYPE(eip_environment_type), OPTIONAL, POINTER :: eip_env local
H A Df77_interface.F574 TYPE(eip_environment_type), POINTER :: eip_env local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Deip_environment_types.F125 SUBROUTINE eip_env_retain(eip_env) argument
127 TYPE(eip_environment_type), POINTER :: eip_env local
145 SUBROUTINE eip_env_release(eip_env) argument
147 TYPE(eip_environment_type), POINTER :: eip_env local
217 SUBROUTINE eip_env_get(eip_env, id_nr, eip_model, eip_energy, eip_energy_var, & argument
225 TYPE(eip_environment_type), POINTER :: eip_env local
336 TYPE(eip_environment_type), POINTER :: eip_env local
434 SUBROUTINE eip_env_clear(eip_env) argument
436 TYPE(eip_environment_type), POINTER :: eip_env local
476 SUBROUTINE eip_env_create(eip_env) argument
[all …]
H A Deip_environment.F69 SUBROUTINE eip_init(eip_env, root_section, para_env, force_env_section, & argument
71 TYPE(eip_environment_type), POINTER :: eip_env local
134 SUBROUTINE eip_init_subsys(eip_env, subsys, cell, cell_ref, use_ref_cell, subsys_section) argument
135 TYPE(eip_environment_type), POINTER :: eip_env local
211 SUBROUTINE eip_init_model(eip_env) argument
212 TYPE(eip_environment_type), POINTER :: eip_env local
H A Deip_silicon.F73 SUBROUTINE eip_bazant(eip_env) argument
74 TYPE(eip_environment_type), POINTER :: eip_env local
239 SUBROUTINE eip_lenosky(eip_env) argument
240 TYPE(eip_environment_type), POINTER :: eip_env local
404 SUBROUTINE eip_print_energies(eip_env, output_unit) argument
405 TYPE(eip_environment_type), POINTER :: eip_env local
430 SUBROUTINE eip_print_energy_var(eip_env, output_unit) argument
462 SUBROUTINE eip_print_forces(eip_env, output_unit) argument
504 SUBROUTINE eip_print_coord_avg(eip_env, output_unit) argument
536 SUBROUTINE eip_print_coord_var(eip_env, output_unit) argument
[all …]
H A Dforce_env_types.F142 TYPE(eip_environment_type), POINTER :: eip_env component
305 … qmmm_env, qmmmx_env, eip_env, pwdft_env, globenv, input, force_env_section, & argument
323 TYPE(eip_environment_type), OPTIONAL, POINTER :: eip_env local
H A Dforce_env_methods.F715 … qs_env, meta_env, sub_force_env, qmmm_env, qmmmx_env, eip_env, pwdft_env, force_env_section, & argument
729 TYPE(eip_environment_type), OPTIONAL, POINTER :: eip_env local
H A Df77_interface.F576 TYPE(eip_environment_type), POINTER :: eip_env local