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module | xc_derivative_types |
| Provides types for the management of the xc-functionals and their derivatives.
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subroutine, public | xc_derivative_types::xc_derivative_create (derivative, desc, r3d_ptr) |
| allocates and initializes a derivative type More...
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subroutine, public | xc_derivative_types::xc_derivative_release (derivative, pw_pool) |
| allocates and initializes a derivative type More...
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subroutine, public | xc_derivative_types::xc_derivative_get (deriv, split_desc, order, deriv_data, accept_null_data) |
| returns various information on the given derivative More...
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