Documentation for module glbopt_callback

Callback used by global geometry optimization schemes

source: glbopt_callback.F
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public Subroutines/Functions:

Callback used to hook into the main MD-loop. It recognizes and counts bumps in the potential energy. When MD_BUMPS_MAX is reached, the MD simulations is stoped.

SUBROUTINEglbopt_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. When MD_BUMPS_MAX is reached, the MD simulations is stoped.

Arguments:
POINTER
:: mdctrl_data ...
POINTER
:: md_env ...
LOGICAL,
INTENT(inout)
:: should_stop ...