pub unsafe fn cuestXCIntPlanCreateWorkspaceQuery(
handle: cuestHandle_t,
basis: cuestAOBasis_t,
grid: cuestMolecularGrid_t,
functional: cuestXCIntPlanParametersFunctional_t,
parameters: cuestXCIntPlanParameters_t,
persistentWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outPlan: *mut cuestXCIntPlan_t,
) -> cuestStatus_tExpand description
@brief Query workspace requirements for creating an exchange-correlation integral plan. @ingroup XCIntegralPlan
Determines persistent and temporary buffer sizes by simulating allocation logic. All handles and pointers must be valid (not NULL).
@param[in] handle cuEST handle. Must not be NULL. @param[in] basis AO basis set handle. Must not be NULL. @param[in] grid Molecular grid handle. Must not be NULL. @param[in] functional Specifies the XC functional. @param[in] parameters Plan parameters handle. Must not be NULL. @param[out] persistentWorkspaceDescriptor Output descriptor for persistent buffer sizing. Must not be NULL. @param[out] temporaryWorkspaceDescriptor Output descriptor for temporary buffer sizing. Must not be NULL. @param outPlan Output pointer for the XC integral plan handle. 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 argument is NULL;
- \c CUEST_STATUS_INVALID_TYPE if opaque handles are not the correct type;
- \c CUEST_STATUS_INVALID_ARGUMENT if \c functional does not exist;
- \c CUEST_STATUS_EXCEPTION or \c CUEST_STATUS_UNKNOWN_ERROR otherwise.