Documentation for module geo_opt

performs geometry optimization

source: geo_opt.F
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public Subroutines/Functions:

Main driver to perform geometry optimization
Main driver to perform rotation optimization for Dimer

RECURSIVE SUBROUTINEcp_geo_opt(force_env, globenv, eval_opt_geo, rm_restart_info)

Main driver to perform geometry optimization

Arguments:
POINTER
:: force_env ...
POINTER
:: globenv ...
LOGICAL,
INTENT(in),
OPTIONAL
:: eval_opt_geo ...
LOGICAL,
INTENT(in),
OPTIONAL
:: rm_restart_info ...

SUBROUTINEcp_rot_opt(gopt_env, x0, gopt_param, geo_section)

Main driver to perform rotation optimization for Dimer

Arguments:
POINTER
:: gopt_env ...
REAL(dp),
POINTER
:: x0(:) ...
POINTER
:: gopt_param ...
POINTER
:: geo_section ...