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module | xc_util |
| contains utility functions for the xc package
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elemental logical function, public | xc_util::xc_requires_tmp_g (xc_deriv_id) |
| ... More...
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subroutine, public | xc_util::xc_pw_smooth (pw_in, pw_out, xc_smooth_id) |
| ... More...
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subroutine, public | xc_util::xc_pw_gradient (pw_r, pw_g, tmp_g, gradient, xc_deriv_method_id) |
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subroutine, public | xc_util::xc_pw_divergence (xc_deriv_method_id, pw_to_deriv, tmp_g, vxc_g, vxc_r) |
| Calculates the divergence of pw_to_deriv. More...
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