Documentation for module bfgs_optimizer

Routines for Geometry optimization using BFGS algorithm

source: bfgs_optimizer.F
Loading...

public Subroutines/Functions:

Main driver for BFGS geometry optimizations

RECURSIVE SUBROUTINEgeoopt_bfgs(force_env, gopt_param, globenv, geo_section, gopt_env, x0)

Main driver for BFGS geometry optimizations

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