use super::*;
use core::ffi::{c_int, c_void};
pub struct DyLoadLib {
pub __libraries: Vec<libloading::Library>,
pub __libraries_path: Vec<String>,
pub __error: Option<String>,
pub cuestCreate: Option<
unsafe extern "C" fn(
parameters: cuestHandleParameters_t,
handle: *mut cuestHandle_t,
) -> cuestStatus_t,
>,
pub cuestDestroy: Option<unsafe extern "C" fn(handle: cuestHandle_t) -> cuestStatus_t>,
pub cuestSetMathMode:
Option<unsafe extern "C" fn(handle: cuestHandle_t, mode: cuestMathMode_t) -> cuestStatus_t>,
pub cuestGetMathMode: Option<
unsafe extern "C" fn(handle: cuestHandle_t, mode: *mut cuestMathMode_t) -> cuestStatus_t,
>,
pub cuestSetComputeCapabilityTarget: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
targetMajorVersion: u32,
targetMinorVersion: u32,
) -> cuestStatus_t,
>,
pub cuestGetComputeCapabilityTarget: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
targetMajorVersion: *mut u32,
targetMinorVersion: *mut u32,
) -> cuestStatus_t,
>,
pub cuestGetMajorVersion: Option<
unsafe extern "C" fn(handle: cuestHandle_t, majorVersion: *mut u32) -> cuestStatus_t,
>,
pub cuestGetMinorVersion: Option<
unsafe extern "C" fn(handle: cuestHandle_t, minorVersion: *mut u32) -> cuestStatus_t,
>,
pub cuestGetPatchVersion: Option<
unsafe extern "C" fn(handle: cuestHandle_t, patchVersion: *mut u32) -> cuestStatus_t,
>,
pub cuestAOShellCreate: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
isPure: i32,
L: u64,
numPrimitive: u64,
exponents: *const f64,
coefficients: *const f64,
parameters: cuestAOShellParameters_t,
outShell: *mut cuestAOShell_t,
) -> cuestStatus_t,
>,
pub cuestAOShellDestroy: Option<unsafe extern "C" fn(shell: cuestAOShell_t) -> cuestStatus_t>,
pub cuestAOBasisCreate: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
numAtoms: u64,
numShellsPerAtom: *const u64,
shells: *const cuestAOShell_t,
parameters: cuestAOBasisParameters_t,
persistentWorkspace: *mut cuestWorkspace_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outBasis: *mut cuestAOBasis_t,
) -> cuestStatus_t,
>,
pub cuestAOBasisCreateWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
numAtoms: u64,
numShellsPerAtom: *const u64,
shells: *const cuestAOShell_t,
parameters: cuestAOBasisParameters_t,
persistentWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outBasis: *mut cuestAOBasis_t,
) -> cuestStatus_t,
>,
pub cuestAOBasisDestroy: Option<unsafe extern "C" fn(basis: cuestAOBasis_t) -> cuestStatus_t>,
pub cuestAOPairListCreate: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
basis: cuestAOBasis_t,
numAtoms: u64,
xyz: *const f64,
thresholdPQ: f64,
parameters: cuestAOPairListParameters_t,
persistentWorkspace: *mut cuestWorkspace_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outPairList: *mut cuestAOPairList_t,
) -> cuestStatus_t,
>,
pub cuestAOPairListCreateWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
basis: cuestAOBasis_t,
numAtoms: u64,
xyz: *const f64,
thresholdPQ: f64,
parameters: cuestAOPairListParameters_t,
persistentWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outPairList: *mut cuestAOPairList_t,
) -> cuestStatus_t,
>,
pub cuestAOPairListDestroy:
Option<unsafe extern "C" fn(pairList: cuestAOPairList_t) -> cuestStatus_t>,
pub cuestECPCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestECPIntPlan_t,
parameters: cuestECPComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outECPMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestECPComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestECPIntPlan_t,
parameters: cuestECPComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outECPMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestECPDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestECPIntPlan_t,
parameters: cuestECPDerivativeComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
densityMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestECPDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestECPIntPlan_t,
parameters: cuestECPDerivativeComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
densityMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestECPAtomCreate: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
numElectrons: u64,
numShells: u64,
shells: *const cuestECPShell_t,
topShell: cuestECPShell_t,
parameters: cuestECPAtomParameters_t,
outECPAtom: *mut cuestECPAtom_t,
) -> cuestStatus_t,
>,
pub cuestECPAtomDestroy: Option<unsafe extern "C" fn(atom: cuestECPAtom_t) -> cuestStatus_t>,
pub cuestECPShellCreate: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
L: u64,
numPrimitive: u64,
radialPowers: *const u64,
coefficients: *const f64,
exponents: *const f64,
parameters: cuestECPShellParameters_t,
outECPShell: *mut cuestECPShell_t,
) -> cuestStatus_t,
>,
pub cuestECPShellDestroy: Option<unsafe extern "C" fn(shell: cuestECPShell_t) -> cuestStatus_t>,
pub cuestECPIntPlanCreate: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
basis: cuestAOBasis_t,
xyzCPU: *const f64,
numECPAtoms: u64,
activeIndices: *const u64,
activeAtoms: *const cuestECPAtom_t,
parameters: cuestECPIntPlanParameters_t,
persistentWorkspace: *mut cuestWorkspace_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outPlan: *mut cuestECPIntPlan_t,
) -> cuestStatus_t,
>,
pub cuestECPIntPlanCreateWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
basis: cuestAOBasis_t,
xyzCPU: *const f64,
numECPAtoms: u64,
activeIndices: *const u64,
activeAtoms: *const cuestECPAtom_t,
parameters: cuestECPIntPlanParameters_t,
persistentWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outPlan: *mut cuestECPIntPlan_t,
) -> cuestStatus_t,
>,
pub cuestECPIntPlanDestroy:
Option<unsafe extern "C" fn(plan: cuestECPIntPlan_t) -> cuestStatus_t>,
pub cuestOEIntPlanCreate: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
basis: cuestAOBasis_t,
pairList: cuestAOPairList_t,
parameters: cuestOEIntPlanParameters_t,
persistentWorkspace: *mut cuestWorkspace_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outPlan: *mut cuestOEIntPlan_t,
) -> cuestStatus_t,
>,
pub cuestOEIntPlanCreateWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
basis: cuestAOBasis_t,
pairList: cuestAOPairList_t,
parameters: cuestOEIntPlanParameters_t,
persistentWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outPlan: *mut cuestOEIntPlan_t,
) -> cuestStatus_t,
>,
pub cuestOEIntPlanDestroy:
Option<unsafe extern "C" fn(plan: cuestOEIntPlan_t) -> cuestStatus_t>,
pub cuestDFIntPlanCreate: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
primaryBasis: cuestAOBasis_t,
auxiliaryBasis: cuestAOBasis_t,
pairList: cuestAOPairList_t,
parameters: cuestDFIntPlanParameters_t,
persistentWorkspace: *mut cuestWorkspace_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outPlan: *mut cuestDFIntPlan_t,
) -> cuestStatus_t,
>,
pub cuestDFIntPlanCreateWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
primaryBasis: cuestAOBasis_t,
auxiliaryBasis: cuestAOBasis_t,
pairList: cuestAOPairList_t,
parameters: cuestDFIntPlanParameters_t,
persistentWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outPlan: *mut cuestDFIntPlan_t,
) -> cuestStatus_t,
>,
pub cuestDFIntPlanDestroy:
Option<unsafe extern "C" fn(plan: cuestDFIntPlan_t) -> cuestStatus_t>,
pub cuestOverlapCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestOverlapComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outSMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestOverlapComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestOverlapComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outSMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestOverlapDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestOverlapDerivativeComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
densityMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestOverlapDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestOverlapDerivativeComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
densityMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestKineticCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestKineticComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outTMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestKineticComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestKineticComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outTMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestKineticDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestKineticDerivativeComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
densityMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestKineticDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestKineticDerivativeComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
densityMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestMultipoleCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestMultipoleComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
multipoleOrder: *const u32,
origin: *const f64,
outMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestMultipoleComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestMultipoleComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
multipoleOrder: *const u32,
origin: *const f64,
outMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestMultipoleDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestMultipoleDerivativeComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
multipoleOrder: *const u32,
origin: *const f64,
densityMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestMultipoleDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestMultipoleDerivativeComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
multipoleOrder: *const u32,
origin: *const f64,
densityMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestAngularMomentumCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestAngularMomentumComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
component: cuestAngularMomentumComputeParametersComponent_t,
origin: *const f64,
outMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestAngularMomentumComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestAngularMomentumComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
component: cuestAngularMomentumComputeParametersComponent_t,
origin: *const f64,
outMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestAngularMomentumDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestAngularMomentumDerivativeComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
component: cuestAngularMomentumComputeParametersComponent_t,
origin: *const f64,
densityMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestAngularMomentumDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestAngularMomentumDerivativeComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
component: cuestAngularMomentumComputeParametersComponent_t,
origin: *const f64,
densityMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestNablaCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestNablaComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
component: cuestNablaComputeParametersComponent_t,
outMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestNablaComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestNablaComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
component: cuestNablaComputeParametersComponent_t,
outMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestNablaDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestNablaDerivativeComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
component: cuestNablaComputeParametersComponent_t,
densityMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestNablaDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestNablaDerivativeComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
component: cuestNablaComputeParametersComponent_t,
densityMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPotentialCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestPotentialComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numCharges: u64,
xyz: *const f64,
q: *const f64,
outVMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPotentialComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestPotentialComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numCharges: u64,
xyz: *const f64,
q: *const f64,
outVMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPotentialDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestPotentialDerivativeComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numCharges: u64,
xyz: *const f64,
q: *const f64,
densityMatrix: *const f64,
outBasisGradient: *mut f64,
outChargeGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPotentialDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestOEIntPlan_t,
parameters: cuestPotentialDerivativeComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numCharges: u64,
xyz: *const f64,
q: *const f64,
densityMatrix: *const f64,
outBasisGradient: *mut f64,
outChargeGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestDFCoulombCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestDFIntPlan_t,
parameters: cuestDFCoulombComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
densityMatrix: *const f64,
outCoulombMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestDFCoulombComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestDFIntPlan_t,
parameters: cuestDFCoulombComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
densityMatrix: *const f64,
outCoulombMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestDFSymmetricExchangeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestDFIntPlan_t,
parameters: cuestDFSymmetricExchangeComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupied: u64,
coefficientMatrix: *const f64,
outExchangeMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestDFSymmetricExchangeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestDFIntPlan_t,
parameters: cuestDFSymmetricExchangeComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupied: u64,
coefficientMatrix: *const f64,
outExchangeMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestDFNonsymmetricExchangeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestDFIntPlan_t,
parameters: cuestDFNonsymmetricExchangeComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numCoefficientMatrices: u64,
numOccupied: u64,
leftCoefficientMatrix: *const f64,
rightCoefficientMatrices: *const f64,
outExchangeMatrices: *mut f64,
) -> cuestStatus_t,
>,
pub cuestDFNonsymmetricExchangeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestDFIntPlan_t,
parameters: cuestDFNonsymmetricExchangeComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numCoefficientMatrices: u64,
numOccupied: u64,
leftCoefficientMatrix: *const f64,
rightCoefficientMatrices: *const f64,
outExchangeMatrices: *mut f64,
) -> cuestStatus_t,
>,
pub cuestDFSymmetricDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestDFIntPlan_t,
parameters: cuestDFSymmetricDerivativeComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
densityScale: f64,
densityMatrix: *const f64,
coefficientScale: f64,
numCoefficientMatrices: u64,
numOccupied: *const u64,
coefficientMatrices: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestDFSymmetricDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestDFIntPlan_t,
parameters: cuestDFSymmetricDerivativeComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
densityScale: f64,
densityMatrix: *const f64,
coefficientScale: f64,
numCoefficientMatrices: u64,
numOccupied: *const u64,
coefficientMatrices: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestDFMOIntegralsCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestDFIntPlan_t,
parameters: cuestDFMOIntegralsComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numCoefficientMatrices: u64,
numLeftOrbitals: *const u64,
numRightOrbitals: *const u64,
leftCoefficientMatrices: *const f64,
rightCoefficientMatrices: *const f64,
outTensors: *mut f64,
) -> cuestStatus_t,
>,
pub cuestDFMOIntegralsComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestDFIntPlan_t,
parameters: cuestDFMOIntegralsComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numCoefficientMatrices: u64,
numLeftOrbitals: *const u64,
numRightOrbitals: *const u64,
leftCoefficientMatrices: *const f64,
rightCoefficientMatrices: *const f64,
outTensors: *mut f64,
) -> cuestStatus_t,
>,
pub cuestAtomGridCreate: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
numRadialPoints: u64,
radialNodes: *const f64,
radialWeights: *const f64,
numAngularPoints: *const u64,
parameters: cuestAtomGridParameters_t,
outAtomGrid: *mut cuestAtomGrid_t,
) -> cuestStatus_t,
>,
pub cuestAtomGridDestroy:
Option<unsafe extern "C" fn(atomGrid: cuestAtomGrid_t) -> cuestStatus_t>,
pub cuestMolecularGridCreate: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
numAtoms: u64,
atomGrid: *const cuestAtomGrid_t,
xyz: *const f64,
parameters: cuestMolecularGridParameters_t,
persistentWorkspace: *mut cuestWorkspace_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outGrid: *mut cuestMolecularGrid_t,
) -> cuestStatus_t,
>,
pub cuestMolecularGridCreateWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
numAtoms: u64,
atomGrid: *const cuestAtomGrid_t,
xyz: *const f64,
parameters: cuestMolecularGridParameters_t,
persistentWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outGrid: *mut cuestMolecularGrid_t,
) -> cuestStatus_t,
>,
pub cuestMolecularGridDestroy:
Option<unsafe extern "C" fn(grid: cuestMolecularGrid_t) -> cuestStatus_t>,
pub cuestXCIntPlanCreate: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
basis: cuestAOBasis_t,
grid: cuestMolecularGrid_t,
functional: cuestXCIntPlanParametersFunctional_t,
parameters: cuestXCIntPlanParameters_t,
persistentWorkspace: *mut cuestWorkspace_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outPlan: *mut cuestXCIntPlan_t,
) -> cuestStatus_t,
>,
pub cuestXCIntPlanCreateWorkspaceQuery: Option<
unsafe extern "C" fn(
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_t,
>,
pub cuestXCIntPlanDestroy:
Option<unsafe extern "C" fn(plan: cuestXCIntPlan_t) -> cuestStatus_t>,
pub cuestXCIntegrationGridCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestXCIntegrationGridComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outGridPoints: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCIntegrationGridComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestXCIntegrationGridComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outGridPoints: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCIntegrationWeightCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
weightType: cuestXCIntegrationWeightComputeParametersWeightType_t,
parameters: cuestXCIntegrationWeightComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outGridWeights: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCIntegrationWeightComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
weightType: cuestXCIntegrationWeightComputeParametersWeightType_t,
parameters: cuestXCIntegrationWeightComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outGridWeights: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCPotentialRKSCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestXCPotentialRKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupied: u64,
coefficientMatrix: *const f64,
outXCEnergy: *mut f64,
outXCPotentialMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCPotentialRKSComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestXCPotentialRKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupied: u64,
coefficientMatrix: *const f64,
outXCEnergy: *mut f64,
outXCPotentialMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCPotentialUKSCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestXCPotentialUKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupiedAlpha: u64,
numOccupiedBeta: u64,
coefficientMatrixAlpha: *const f64,
coefficientMatrixBeta: *const f64,
outXCEnergy: *mut f64,
outXCPotentialMatrixAlpha: *mut f64,
outXCPotentialMatrixBeta: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCPotentialUKSComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestXCPotentialUKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupiedAlpha: u64,
numOccupiedBeta: u64,
coefficientMatrixAlpha: *const f64,
coefficientMatrixBeta: *const f64,
outXCEnergy: *mut f64,
outXCPotentialMatrixAlpha: *mut f64,
outXCPotentialMatrixBeta: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCDensityCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
approximation: cuestXCAdvancedComputeParametersApproximation_t,
parameters: cuestXCDensityComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupied: u64,
coefficientMatrix: *const f64,
outGridDensity: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCDensityComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
approximation: cuestXCAdvancedComputeParametersApproximation_t,
parameters: cuestXCDensityComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupied: u64,
coefficientMatrix: *const f64,
outGridDensity: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCPotentialCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
approximation: cuestXCAdvancedComputeParametersApproximation_t,
parameters: cuestXCPotentialComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
gridXCPotential: *const f64,
outXCPotentialMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCPotentialComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
approximation: cuestXCAdvancedComputeParametersApproximation_t,
parameters: cuestXCPotentialComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
gridXCPotential: *const f64,
outXCPotentialMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCNonsymmetricDensityCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
approximation: cuestXCAdvancedComputeParametersApproximation_t,
parameters: cuestXCNonsymmetricDensityComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupied: u64,
leftCoefficientMatrix: *const f64,
rightCoefficientMatrix: *const f64,
outGridDensity: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCNonsymmetricDensityComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
approximation: cuestXCAdvancedComputeParametersApproximation_t,
parameters: cuestXCNonsymmetricDensityComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupied: u64,
leftCoefficientMatrix: *const f64,
rightCoefficientMatrix: *const f64,
outGridDensity: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCDerivativeRKSCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestXCDerivativeRKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupied: u64,
coefficientMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCDerivativeRKSComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestXCDerivativeRKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupied: u64,
coefficientMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCDerivativeUKSCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestXCDerivativeUKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupiedAlpha: u64,
numOccupiedBeta: u64,
coefficientMatrixAlpha: *const f64,
coefficientMatrixBeta: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCDerivativeUKSComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestXCDerivativeUKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupiedAlpha: u64,
numOccupiedBeta: u64,
coefficientMatrixAlpha: *const f64,
coefficientMatrixBeta: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
approximation: cuestXCAdvancedComputeParametersApproximation_t,
parameters: cuestXCDerivativeComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupied: u64,
coefficientMatrix: *const f64,
gridXCPotential: *const f64,
outBasisGradient: *mut f64,
outGridGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
approximation: cuestXCAdvancedComputeParametersApproximation_t,
parameters: cuestXCDerivativeComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupied: u64,
coefficientMatrix: *const f64,
gridXCPotential: *const f64,
outBasisGradient: *mut f64,
outGridGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCGridDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestXCGridDerivativeComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
gridXCEnergy: *const f64,
gridGradient: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCGridDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestXCGridDerivativeComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
gridXCEnergy: *const f64,
gridGradient: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCNonsymmetricDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
approximation: cuestXCAdvancedComputeParametersApproximation_t,
parameters: cuestXCNonsymmetricDerivativeComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupied: u64,
leftCoefficientMatrix: *const f64,
rightCoefficientMatrix: *const f64,
gridXCPotential: *const f64,
outBasisGradient: *mut f64,
outGridGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestXCNonsymmetricDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
approximation: cuestXCAdvancedComputeParametersApproximation_t,
parameters: cuestXCNonsymmetricDerivativeComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupied: u64,
leftCoefficientMatrix: *const f64,
rightCoefficientMatrix: *const f64,
gridXCPotential: *const f64,
outBasisGradient: *mut f64,
outGridGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestNonlocalXCPotentialRKSCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestNonlocalXCPotentialRKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupied: u64,
coefficientMatrix: *const f64,
outXCEnergy: *mut f64,
outXCPotentialMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestNonlocalXCPotentialRKSComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestNonlocalXCPotentialRKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupied: u64,
coefficientMatrix: *const f64,
outXCEnergy: *mut f64,
outXCPotentialMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestNonlocalXCPotentialUKSCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestNonlocalXCPotentialUKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupiedAlpha: u64,
numOccupiedBeta: u64,
coefficientMatrixAlpha: *const f64,
coefficientMatrixBeta: *const f64,
outXCEnergy: *mut f64,
outXCPotentialMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestNonlocalXCPotentialUKSComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestNonlocalXCPotentialUKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupiedAlpha: u64,
numOccupiedBeta: u64,
coefficientMatrixAlpha: *const f64,
coefficientMatrixBeta: *const f64,
outXCEnergy: *mut f64,
outXCPotentialMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestNonlocalXCDerivativeRKSCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestNonlocalXCDerivativeRKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupied: u64,
coefficientMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestNonlocalXCDerivativeRKSComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestNonlocalXCDerivativeRKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupied: u64,
coefficientMatrix: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestNonlocalXCDerivativeUKSCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestNonlocalXCDerivativeUKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numOccupiedAlpha: u64,
numOccupiedBeta: u64,
coefficientMatrixAlpha: *const f64,
coefficientMatrixBeta: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestNonlocalXCDerivativeUKSComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestXCIntPlan_t,
parameters: cuestNonlocalXCDerivativeUKSComputeParameters_t,
variableBufferSize: *const cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numOccupiedAlpha: u64,
numOccupiedBeta: u64,
coefficientMatrixAlpha: *const f64,
coefficientMatrixBeta: *const f64,
outGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPCMIntPlanCreate: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
intPlan: cuestOEIntPlan_t,
parameters: cuestPCMIntPlanParameters_t,
persistentWorkspace: *mut cuestWorkspace_t,
temporaryWorkspace: *mut cuestWorkspace_t,
numAngularPointsPerAtom: *const u64,
epsilon: f64,
zetas: *const f64,
atomicRadii: *const f64,
effectiveNuclearCharges: *const f64,
outPlan: *mut cuestPCMIntPlan_t,
) -> cuestStatus_t,
>,
pub cuestPCMIntPlanCreateWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
intPlan: cuestOEIntPlan_t,
parameters: cuestPCMIntPlanParameters_t,
persistentWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
numAngularPointsPerAtom: *const u64,
epsilon: f64,
zetas: *const f64,
atomicRadii: *const f64,
effectiveNuclearCharges: *const f64,
outPlan: *mut cuestPCMIntPlan_t,
) -> cuestStatus_t,
>,
pub cuestPCMIntPlanDestroy:
Option<unsafe extern "C" fn(plan: cuestPCMIntPlan_t) -> cuestStatus_t>,
pub cuestPCMPotentialCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestPCMIntPlan_t,
parameters: cuestPCMPotentialComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
densityMatrix: *const f64,
inQ: *const f64,
outQ: *mut f64,
outPCMResults: cuestPCMResults_t,
outPCMPotentialMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPCMPotentialComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestPCMIntPlan_t,
parameters: cuestPCMPotentialComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
densityMatrix: *const f64,
inQ: *const f64,
outQ: *mut f64,
outPCMResults: cuestPCMResults_t,
outPCMPotentialMatrix: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPCMDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestPCMIntPlan_t,
parameters: cuestPCMDerivativeComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
densityMatrix: *const f64,
inQ: *const f64,
outQ: *mut f64,
outPCMResults: cuestPCMResults_t,
outPCMGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPCMDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestPCMIntPlan_t,
parameters: cuestPCMDerivativeComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
densityMatrix: *const f64,
inQ: *const f64,
outQ: *mut f64,
outPCMResults: cuestPCMResults_t,
outPCMGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPCMRadiiDerivativeCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestPCMIntPlan_t,
parameters: cuestPCMRadiiDerivativeComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
densityMatrix: *const f64,
inQ: *const f64,
outQ: *mut f64,
outPCMResults: cuestPCMResults_t,
outPCMRadiiGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPCMRadiiDerivativeComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestPCMIntPlan_t,
parameters: cuestPCMRadiiDerivativeComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
densityMatrix: *const f64,
inQ: *const f64,
outQ: *mut f64,
outPCMResults: cuestPCMResults_t,
outPCMRadiiGradient: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPCMIntegrationGridCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestPCMIntPlan_t,
parameters: cuestPCMIntegrationGridComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outGridPoints: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPCMIntegrationGridComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestPCMIntPlan_t,
parameters: cuestPCMIntegrationGridComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outGridPoints: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPCMIntegrationWeightCompute: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestPCMIntPlan_t,
weightType: cuestPCMIntegrationWeightComputeParametersWeightType_t,
parameters: cuestPCMIntegrationWeightComputeParameters_t,
temporaryWorkspace: *mut cuestWorkspace_t,
outGridWeights: *mut f64,
) -> cuestStatus_t,
>,
pub cuestPCMIntegrationWeightComputeWorkspaceQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
plan: cuestPCMIntPlan_t,
weightType: cuestPCMIntegrationWeightComputeParametersWeightType_t,
parameters: cuestPCMIntegrationWeightComputeParameters_t,
temporaryWorkspaceDescriptor: *mut cuestWorkspaceDescriptor_t,
outGridWeights: *mut f64,
) -> cuestStatus_t,
>,
pub cuestQuery: Option<
unsafe extern "C" fn(
handle: cuestHandle_t,
type_: cuestType_t,
object: *const c_void,
attribute: c_int,
attributeValue: *mut c_void,
attributeValueSize: usize,
) -> cuestStatus_t,
>,
pub cuestResultsCreate: Option<
unsafe extern "C" fn(
resultsType: cuestResultsType_t,
outResults: *mut *mut c_void,
) -> cuestStatus_t,
>,
pub cuestResultsDestroy: Option<
unsafe extern "C" fn(
resultsType: cuestResultsType_t,
results: *mut c_void,
) -> cuestStatus_t,
>,
pub cuestResultsQuery: Option<
unsafe extern "C" fn(
resultsType: cuestResultsType_t,
results: *const c_void,
attribute: c_int,
resultValue: *mut c_void,
resultValueSize: usize,
) -> cuestStatus_t,
>,
pub cuestParametersCreate: Option<
unsafe extern "C" fn(
parameterType: cuestParametersType_t,
outParameters: *mut *mut c_void,
) -> cuestStatus_t,
>,
pub cuestParametersDestroy: Option<
unsafe extern "C" fn(
parameterType: cuestParametersType_t,
parameters: *mut c_void,
) -> cuestStatus_t,
>,
pub cuestParametersQuery: Option<
unsafe extern "C" fn(
parameterType: cuestParametersType_t,
parameters: *const c_void,
attribute: c_int,
attributeValue: *mut c_void,
attributeValueSize: usize,
) -> cuestStatus_t,
>,
pub cuestParametersConfigure: Option<
unsafe extern "C" fn(
parameterType: cuestParametersType_t,
parameters: *mut c_void,
attribute: c_int,
attributeValue: *const c_void,
attributeValueSize: usize,
) -> cuestStatus_t,
>,
}