21 #include "../base/base_uses.f90"
28 CHARACTER(len=*),
PARAMETER,
PRIVATE :: moduleN =
'mdctrl_methods'
39 TYPE(mdctrl_type),
POINTER :: mdctrl
40 TYPE(md_environment_type),
POINTER :: md_env
41 LOGICAL,
INTENT(inout) :: should_stop
43 cpassert(
ASSOCIATED(md_env))
44 cpassert(
ASSOCIATED(mdctrl))
46 IF (
ASSOCIATED(mdctrl%glbopt))
THEN
52 cpabort(
"mdctrl_callback: No hook found.")
Callback used by global geometry optimization schemes.
subroutine, public glbopt_md_callback(mdctrl_data, md_env, should_stop)
Callback used to hook into the main MD-loop. It recognizes and counts bumps in the potential energy....
A common interface (wrapper) for a callback into the md_run loop. Currently this is only used by the ...
subroutine, public mdctrl_callback(mdctrl, md_env, should_stop)
This is called by md_run for each step during during its main-loop.
A common interface for passing a callback into the md_run loop.