Documentation for module shell_opt

source: shell_opt.F
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public Subroutines/Functions:

Optimize shell-core positions along an MD run

SUBROUTINEoptimize_shell_core(force_env, particle_set, shell_particle_set, core_particle_set, globenv, tmp, check)

Optimize shell-core positions along an MD run

Arguments:
POINTER
:: force_env ...
POINTER
:: particle_set(:) ...
POINTER
:: shell_particle_set(:) ...
POINTER
:: core_particle_set(:) ...
POINTER
:: globenv ...
OPTIONAL, POINTER
:: tmp ...
LOGICAL,
INTENT(in),
OPTIONAL
:: check ...