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(git:b77b4be)
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(git:b77b4be)
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contains utility functions for the xc package More...
Data Types | |
| interface | xc_pw_derive |
| interface | xc_pw_laplace |
Functions/Subroutines | |
| elemental logical function, public | xc_requires_tmp_g (xc_deriv_id) |
| ... | |
| subroutine, public | xc_pw_smooth (pw_in, pw_out, xc_smooth_id) |
| ... | |
| subroutine, public | xc_pw_gradient (pw_r, pw_g, tmp_g, gradient, xc_deriv_method_id) |
| ... | |
| subroutine, public | xc_pw_divergence (xc_deriv_method_id, pw_to_deriv, tmp_g, vxc_g, vxc_r) |
| Calculates the divergence of pw_to_deriv. | |
contains utility functions for the xc package
| elemental logical function, public xc_util::xc_requires_tmp_g | ( | integer, intent(in) | xc_deriv_id | ) |
| subroutine, public xc_util::xc_pw_smooth | ( | type(pw_r3d_rs_type), intent(in) | pw_in, |
| type(pw_r3d_rs_type), intent(inout) | pw_out, | ||
| integer, intent(in) | xc_smooth_id | ||
| ) |
| subroutine, public xc_util::xc_pw_gradient | ( | type(pw_r3d_rs_type), intent(in) | pw_r, |
| type(pw_c1d_gs_type), intent(inout) | pw_g, | ||
| type(pw_c1d_gs_type), intent(inout) | tmp_g, | ||
| type(pw_r3d_rs_type), dimension(3), intent(inout) | gradient, | ||
| integer, intent(in) | xc_deriv_method_id | ||
| ) |
| subroutine, public xc_util::xc_pw_divergence | ( | integer, intent(in) | xc_deriv_method_id, |
| type(pw_r3d_rs_type), dimension(3), intent(inout) | pw_to_deriv, | ||
| type(pw_c1d_gs_type), intent(inout) | tmp_g, | ||
| type(pw_c1d_gs_type), intent(inout) | vxc_g, | ||
| type(pw_r3d_rs_type), intent(inout) | vxc_r | ||
| ) |
1.9.8