(git:ccc2433)
cp_subsys_methods.F File Reference

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Modules

module  cp_subsys_methods
 Initialize a small environment for a particular calculation.
 

Functions/Subroutines

subroutine, public cp_subsys_methods::cp_subsys_create (subsys, para_env, root_section, force_env_section, subsys_section, use_motion_section, qmmm, qmmm_env, exclusions, elkind)
 Creates allocates and fills subsys from given input. More...
 
subroutine, public cp_subsys_methods::create_small_subsys (small_subsys, big_subsys, small_cell, small_para_env, sub_atom_index, sub_atom_kind_name, para_env, force_env_section, subsys_section, ignore_outside_box)
 updates the molecule information of the given subsys More...