Go to the source code of this file.
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module | xc_libxc |
| calculates a functional from libxc and its derivatives
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logical function, public | xc_libxc::libxc_check_existence_in_libxc (libxc_params) |
| This function checks whether a functional name belongs to LibXC. More...
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integer function, public | xc_libxc::libxc_get_reference_length (libxc_params, lsd) |
| This function returns the maximum length of the reference string for a given LibXC functional. More...
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subroutine, public | xc_libxc::libxc_add_sections (section) |
| ... More...
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subroutine, public | xc_libxc::libxc_lda_info (libxc_params, reference, shortform, needs, max_deriv, print_warn) |
| info about the functional from libxc More...
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subroutine, public | xc_libxc::libxc_lsd_info (libxc_params, reference, shortform, needs, max_deriv, print_warn) |
| info about the functional from libxc More...
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subroutine, public | xc_libxc::libxc_version_info (version) |
| info about the LibXC version More...
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subroutine, public | xc_libxc::libxc_lda_eval (rho_set, deriv_set, grad_deriv, libxc_params) |
| evaluates the functional from libxc More...
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subroutine, public | xc_libxc::libxc_lsd_eval (rho_set, deriv_set, grad_deriv, libxc_params) |
| evaluates the functional from libxc More...
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