(git:e7e05ae)
qmmm_types_low.F File Reference

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Modules

module  qmmm_types_low
 

Functions/Subroutines

subroutine, public qmmm_types_low::qmmm_env_mm_create (qmmm_env)
 ... More...
 
subroutine, public qmmm_types_low::qmmm_env_mm_release (qmmm_env)
 releases the given qmmm_env (see doc/ReferenceCounting.html) More...
 
subroutine, public qmmm_types_low::qmmm_env_qm_create (qmmm_env)
 ... More...
 
subroutine, public qmmm_types_low::qmmm_env_qm_release (qmmm_env)
 releases the given qmmm_env (see doc/ReferenceCounting.html) More...
 
subroutine, public qmmm_types_low::add_set_release (added_charges)
 deallocates the add_set_release More...
 
subroutine, public qmmm_types_low::create_add_set_type (added_charges, ndim)
 creates the add_set_type structure More...
 
subroutine, public qmmm_types_low::create_add_shell_type (added_shells, ndim)
 creates the add_shell_type structure More...
 

Variables

integer, parameter, public qmmm_types_low::force_mixing_label_none = -1
 
integer, parameter, public qmmm_types_low::force_mixing_label_qm_core_list = 10
 
integer, parameter, public qmmm_types_low::force_mixing_label_qm_core = 9
 
integer, parameter, public qmmm_types_low::force_mixing_label_qm_dynamics_list = 8
 
integer, parameter, public qmmm_types_low::force_mixing_label_qm_dynamics = 7
 
integer, parameter, public qmmm_types_low::force_mixing_label_buffer_list = 6
 
integer, parameter, public qmmm_types_low::force_mixing_label_buffer = 5
 
integer, parameter, public qmmm_types_low::force_mixing_label_termination = 4