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CP2K 2.4 (Revision 12889)
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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 |
methods that change a qs calculation to perform an ep calculation
| 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
| ep_qs_env | the environemt to create |
| qs_env | the qs env the ep env will live in |
| error | variable to control error logging, stopping,... see module cp_error_handling |
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:| INTEGER,save,private ep_qs_methods::last_ep_qs_id = 0 |
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.
1.7.3