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xc_gauxc_gradient_policy.F File Reference

Go to the source code of this file.

Modules

module  xc_gauxc_gradient_policy

Functions/Subroutines

pure subroutine, public xc_gauxc_gradient_policy::gauxc_resolve_gradient_policy (need_gradient, gapw_method, max_l, is_model, nranks, energy_self, runtime, force_fd, use_fd, use_mpi, use_self, error)
 Select molecular XC gradients without changing the energy/VXC runtime.

Variables

logical, parameter, public xc_gauxc_gradient_policy::gauxc_has_onedft_gradient_fix = .FALSE.