(git:c5411e0)
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wrapper to abstract the force evaluation of the various methods More...
Data Fields | |
integer | ref_count = 0 |
integer | in_use = 0 |
integer | method_name_id = 0 |
real(kind=dp) | additional_potential = 0.0_dp |
type(fist_environment_type), pointer | fist_env => NULL() |
type(meta_env_type), pointer | meta_env => NULL() |
type(fp_type), pointer | fp_env => NULL() |
type(qs_environment_type), pointer | qs_env => NULL() |
type(eip_environment_type), pointer | eip_env => NULL() |
type(pwdft_environment_type), pointer | pwdft_env => NULL() |
type(global_environment_type), pointer | globenv => NULL() |
type(mp_para_env_type), pointer | para_env => NULL() |
type(force_env_p_type), dimension(:), pointer | sub_force_env => NULL() |
type(qmmm_env_type), pointer | qmmm_env => NULL() |
type(qmmmx_env_type), pointer | qmmmx_env => NULL() |
type(mixed_environment_type), pointer | mixed_env => NULL() |
type(nnp_type), pointer | nnp_env => NULL() |
type(embed_env_type), pointer | embed_env => NULL() |
type(section_vals_type), pointer | force_env_section => NULL() |
type(section_vals_type), pointer | root_section => NULL() |
wrapper to abstract the force evaluation of the various methods
ref_count | reference count (see doc/ReferenceCounting.html) |
in_use | which method is in use |
fist_env | the fist environment (allocated only if fist is in use) |
qs_env | qs_env (activated only if quickstep is in use) |
globenv | the globenv to have the input that generated this force_env |
para_env | the parallel environment that contains all the parallel environment of the fragments |
meta_env | the metadynamics environment, allocated if there is metadynamics |
fp_env | the flexible partitioning environment read-only attributes (get them only through force_env_get): |
subsys | the fragments that build up the actual system. |
cell | the cell of the actual system |
Definition at line 139 of file force_env_types.F.
integer force_env_types::force_env_type::ref_count = 0 |
Definition at line 140 of file force_env_types.F.
integer force_env_types::force_env_type::in_use = 0 |
Definition at line 140 of file force_env_types.F.
integer force_env_types::force_env_type::method_name_id = 0 |
Definition at line 140 of file force_env_types.F.
real(kind=dp) force_env_types::force_env_type::additional_potential = 0.0_dp |
Definition at line 141 of file force_env_types.F.
type(fist_environment_type), pointer force_env_types::force_env_type::fist_env => NULL() |
Definition at line 142 of file force_env_types.F.
type(meta_env_type), pointer force_env_types::force_env_type::meta_env => NULL() |
Definition at line 143 of file force_env_types.F.
type(fp_type), pointer force_env_types::force_env_type::fp_env => NULL() |
Definition at line 144 of file force_env_types.F.
type(qs_environment_type), pointer force_env_types::force_env_type::qs_env => NULL() |
Definition at line 145 of file force_env_types.F.
type(eip_environment_type), pointer force_env_types::force_env_type::eip_env => NULL() |
Definition at line 146 of file force_env_types.F.
type(pwdft_environment_type), pointer force_env_types::force_env_type::pwdft_env => NULL() |
Definition at line 147 of file force_env_types.F.
type(global_environment_type), pointer force_env_types::force_env_type::globenv => NULL() |
Definition at line 148 of file force_env_types.F.
type(mp_para_env_type), pointer force_env_types::force_env_type::para_env => NULL() |
Definition at line 149 of file force_env_types.F.
type(force_env_p_type), dimension(:), pointer force_env_types::force_env_type::sub_force_env => NULL() |
Definition at line 150 of file force_env_types.F.
type(qmmm_env_type), pointer force_env_types::force_env_type::qmmm_env => NULL() |
Definition at line 151 of file force_env_types.F.
type(qmmmx_env_type), pointer force_env_types::force_env_type::qmmmx_env => NULL() |
Definition at line 152 of file force_env_types.F.
type(mixed_environment_type), pointer force_env_types::force_env_type::mixed_env => NULL() |
Definition at line 153 of file force_env_types.F.
type(nnp_type), pointer force_env_types::force_env_type::nnp_env => NULL() |
Definition at line 154 of file force_env_types.F.
type(embed_env_type), pointer force_env_types::force_env_type::embed_env => NULL() |
Definition at line 155 of file force_env_types.F.
type(section_vals_type), pointer force_env_types::force_env_type::force_env_section => NULL() |
Definition at line 156 of file force_env_types.F.
type(section_vals_type), pointer force_env_types::force_env_type::root_section => NULL() |
Definition at line 157 of file force_env_types.F.