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Check if electron is provided in provide shell vgl.
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@ -1872,6 +1872,13 @@ qmckl_exit_code qmckl_provide_ao_basis_shell_vgl(qmckl_context context)
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NULL);
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}
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if(!(ctx->electron.provided)) {
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return qmckl_failwith( context,
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QMCKL_NOT_PROVIDED,
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"qmckl_electron",
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NULL);
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}
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/* Compute if necessary */
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if (ctx->electron.coord_new_date > ctx->ao_basis.shell_vgl_date) {
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