Documentation for module dimer_methods

Contains types used for a Dimer Method calculations

source: dimer_methods.F
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public Subroutines/Functions:

SUBROUTINE RECURSIVE
cp_eval_at_ts (gopt_env, x, f, gradient, calc_force)
Computes the dimer energy/gradients (including the rotation of the dimer)

RECURSIVE SUBROUTINEcp_eval_at_ts(gopt_env, x, f, gradient, calc_force)

Computes the dimer energy/gradients (including the rotation of the dimer)

Arguments:
POINTER
:: gopt_env ...
REAL(dp),
POINTER
:: x(:) ...
REAL(dp),
INTENT(out)
:: f ...
REAL(dp),
POINTER
:: gradient(:) ...
LOGICAL,
INTENT(in)
:: calc_force ...