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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmixed_environment_utils.F58 SUBROUTINE mixed_map_forces(particles_mix, virial_mix, results_mix, global_forces, & argument
64 TYPE(cp_result_type), POINTER :: results_mix local
112 IF (overwrite) CALL cp_results_erase(results_mix)
116 CALL get_results(results=results_mix, description=description, n_rep=nres)
119 … IF (nres == 1) CALL get_results(results=results_mix, description=description, values=dip_mix)
124 CALL cp_results_erase(results=results_mix, description=description)
125 CALL put_results(results=results_mix, description=description, values=dip_mix)
H A Dforce_env_methods.F874 TYPE(cp_result_type), POINTER :: loc_results, results_mix local
898 results=results_mix)
1039 … CALL mixed_map_forces(particles_mix, virial_mix, results_mix, global_forces, virials, results, &
1041 … CALL mixed_map_forces(particles_mix, virial_mix, results_mix, global_forces, virials, results, &
1065 … CALL mixed_map_forces(particles_mix, virial_mix, results_mix, global_forces, virials, results, &
1067 … CALL mixed_map_forces(particles_mix, virial_mix, results_mix, global_forces, virials, results, &
1095 CALL cp_results_erase(results_mix)
1160 dip_exists = test_for_result(results=results_mix, description=description)
1162 CALL get_results(results=results_mix, description=description, values=dip_mix)
1204 TYPE(cp_result_type), POINTER :: loc_results, results_mix local
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmixed_environment_utils.F58 SUBROUTINE mixed_map_forces(particles_mix, virial_mix, results_mix, global_forces, & argument
64 TYPE(cp_result_type), POINTER :: results_mix local
112 IF (overwrite) CALL cp_results_erase(results_mix)
116 CALL get_results(results=results_mix, description=description, n_rep=nres)
119 … IF (nres == 1) CALL get_results(results=results_mix, description=description, values=dip_mix)
124 CALL cp_results_erase(results=results_mix, description=description)
125 CALL put_results(results=results_mix, description=description, values=dip_mix)
H A Dforce_env_methods.F912 TYPE(cp_result_type), POINTER :: loc_results, results_mix local
936 results=results_mix)
1077 … CALL mixed_map_forces(particles_mix, virial_mix, results_mix, global_forces, virials, results, &
1079 … CALL mixed_map_forces(particles_mix, virial_mix, results_mix, global_forces, virials, results, &
1103 … CALL mixed_map_forces(particles_mix, virial_mix, results_mix, global_forces, virials, results, &
1105 … CALL mixed_map_forces(particles_mix, virial_mix, results_mix, global_forces, virials, results, &
1133 CALL cp_results_erase(results_mix)
1198 dip_exists = test_for_result(results=results_mix, description=description)
1200 CALL get_results(results=results_mix, description=description, values=dip_mix)
1242 TYPE(cp_result_type), POINTER :: loc_results, results_mix local
[all …]