gpt.h

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/*! \file
 *
 * \brief Calculation of the Gaussian Product Theorem terms
 */

#pragma once

#include <arb.h>

#ifdef __cplusplus
extern "C" {
#endif

/*! \brief Computes terms from the Gaussian Product Theorem using
 *         interval arithmetic
 *
 * The input parameters \p A and \p B, are expected to be arrays
 * of 3 elements.
 *
 * The output parameters \p P, \p PA, and \p PB are also expected
 * to be arrays 3 elements.
 *
 * See \ref gaussian_product_theorem
 *
 * \param [in]  alpha1  Exponent of the first gaussian
 * \param [in]  alpha2  Exponent of the second gaussian
 * \param [in]  A       XYZ coordinates of the first gaussian.
 * \param [in]  B       XYZ coordinates of the second gaussian
 * \param [out] gamma   Combined exponent (\p alpha1 + \p alpha2)
 * \param [out] P       Coordinates of the new gaussian
 * \param [out] PA      XYZ distances between the new gaussian
 *                      and the first gaussian
 * \param [out] PB      XYZ distances between the new gaussian
 *                      and the second gaussian
 * \param [out] AB2     Total distance between the first and second gaussians
 *
 * \param [in] working_prec The working precision (binary digits/bits) to use
 *                          in the calculation
 */
void mirp_gpt(const arb_t alpha1, const arb_t alpha2,
              arb_srcptr A, arb_srcptr B,
              arb_t gamma,
              arb_ptr P, arb_ptr PA, arb_ptr PB,
              arb_t AB2,
              slong working_prec);


#ifdef __cplusplus
}
#endif