Documentation for module cg_optimizer

Routines for Geometry optimization using Conjugate Gradients

source: cg_optimizer.F
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public Subroutines/Functions:

Driver for conjugate gradient optimization technique

RECURSIVE SUBROUTINEgeoopt_cg(force_env, gopt_param, globenv, geo_section, gopt_env, x0, do_update)

Driver for conjugate gradient optimization technique

Arguments:
POINTER
:: force_env ...
POINTER
:: gopt_param ...
POINTER
:: globenv ...
POINTER
:: geo_section ...
POINTER
:: gopt_env ...
REAL(dp),
POINTER
:: x0(:) ...
LOGICAL,
INTENT(out),
OPTIONAL
:: do_update ...