CP2K 2.4 (Revision 12889)
Functions | Variables

ep_qs_methods Namespace Reference

methods that change a qs calculation to perform an ep calculation More...

Functions

subroutine, public ep_qs_create (ep_qs_env, qs_env, error)
 creates an ep_qs_env

Variables

CHARACTER(len=*), parameter,
private 
moduleN = 'ep_qs_methods'
INTEGER, save, private last_ep_qs_id = 0

Detailed Description

methods that change a qs calculation to perform an ep calculation

History
06.2006 created
Author:
Fawzi Mohamed

Function Documentation

subroutine,public ep_qs_methods::ep_qs_create ( TYPE(ep_qs_type),pointer  ep_qs_env,
TYPE(qs_environment_type),pointer  qs_env,
TYPE(cp_error_type),intent(inout)  error 
)

creates an ep_qs_env

Parameters:
ep_qs_envthe environemt to create
qs_envthe qs env the ep env will live in
errorvariable to control error logging, stopping,... see module cp_error_handling
Author:
fawzi

Definition at line 39 of file ep_qs_methods.f90.

References CPPostcondition, last_ep_qs_id, and timings::timeset().

Referenced by ep_methods::ep_env_init_low().

Here is the call graph for this function:

Here is the caller graph for this function:


Variable Documentation

Definition at line 25 of file ep_qs_methods.f90.

Referenced by ep_qs_create().

CHARACTER(len=*),parameter,private ep_qs_methods::moduleN = 'ep_qs_methods'

Definition at line 24 of file ep_qs_methods.f90.