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#ifndef KINETIC_INTEGRAL_COMPUTE_API_H
#define KINETIC_INTEGRAL_COMPUTE_API_H

#include <stddef.h>

#include "../macros.h"
#include "../types/cuest_types.h"
#include "../types/cuest_parameter_types.h"
#include "../types/workspace_api.h"

#ifdef __cplusplus
extern "C" {
#endif

/**
 * @brief Compute the atomic orbital kinetic energy matrix (T-matrix) using the supplied integral plan.
 * @ingroup Kinetic
 *
 * The output buffer must be preallocated by the user and have space for (nao × nao) doubles,
 * where nao is the number of atomic orbitals in the basis. All required temporary workspace
 * must be allocated before calling this function, using the size returned from
 * \c cuestKineticComputeWorkspaceQuery. All pointers must be valid and not NULL.
 *
 * @param[in]  handle              cuEST handle. Must not be NULL.
 * @param[in]  plan                One-electron integral computation plan (opaque handle). Must not be NULL.
 * @param[in]  parameters          Compute parameters (\c cuestKineticComputeParameters_t). Must not be NULL
 * @param[in]  temporaryWorkspace  Temporary workspace buffers for computation (preallocated).
 * @param[out] outTMatrix          Output GPU buffer for computed kinetic matrix elements (size: nao × nao). Must not be NULL.
 *                                 Elements of this array are overwritten by the calculation results.
 *
 * @return
 *   - \c CUEST_STATUS_SUCCESS on success;
 *   - \c CUEST_STATUS_INVALID_HANDLE if the cuEST handle is NULL;
 *   - \c CUEST_STATUS_NULL_POINTER if any required pointer is NULL;
 *   - \c CUEST_STATUS_INVALID_TYPE if opaque handles are not the correct type;
 *   - \c CUEST_STATUS_EXCEPTION or \c CUEST_STATUS_UNKNOWN_ERROR otherwise.
 */
CUEST_API
cuestStatus_t cuestKineticCompute(
    cuestHandle_t handle,
    const cuestOEIntPlan_t plan,
    const cuestKineticComputeParameters_t parameters,
    cuestWorkspace_t* temporaryWorkspace,
    double* outTMatrix);

/**
 * @brief Query the temporary workspace required (in bytes) for kinetic energy matrix calculation.
 * @ingroup Kinetic
 *
 * This function determines the workspace requirements for a kinetic energy matrix evaluation
 * (such as buffer sizes), given a particular plan. The output descriptor is filled on success.
 * User matrix buffer may be NULL.
 *
 * @param[in]  handle                             cuEST handle. Must not be NULL.
 * @param[in]  plan                               One-electron integral computation plan (opaque handle). Must not be NULL.
 * @param[in]  parameters                         Compute parameters (\c cuestKineticComputeParameters_t). Must not be NULL
 * @param[out] temporaryWorkspaceDescriptor       Output descriptor for temporary workspace sizes. Must not be NULL.
 * @param      outTMatrix                         Optional buffer for computed kinetic matrix (may be NULL).
 *
 * @return
 *   - \c CUEST_STATUS_SUCCESS on success;
 *   - \c CUEST_STATUS_INVALID_HANDLE if the cuEST handle is NULL;
 *   - \c CUEST_STATUS_NULL_POINTER if any required pointer is NULL;
 *   - \c CUEST_STATUS_INVALID_TYPE if opaque handles are not the correct type;
 *   - \c CUEST_STATUS_EXCEPTION or \c CUEST_STATUS_UNKNOWN_ERROR otherwise.
 */
CUEST_API
cuestStatus_t cuestKineticComputeWorkspaceQuery(
    cuestHandle_t handle,
    const cuestOEIntPlan_t plan,
    const cuestKineticComputeParameters_t parameters,
    cuestWorkspaceDescriptor_t* temporaryWorkspaceDescriptor,
    double* outTMatrix);

#ifdef __cplusplus
}
#endif

#endif /* KINETIC_INTEGRAL_COMPUTE_API_H */
