7 #ifndef COMPUTEDIHEDRALS_H
8 #define COMPUTEDIHEDRALS_H
TupleSignature * dihedralSigs
static void computeForce(DihedralElem *, int, BigReal *, BigReal *)
static BigReal pressureProfileMin
static int pressureProfileAtomTypes
static BigReal pressureProfileThickness
const DihedralValue * value
int operator<(const DihedralElem &a) const
int operator==(const DihedralElem &a) const
static void submitReductionData(BigReal *, SubmitReduction *)
static void getTupleInfo(AtomSignature *sig, int *count, TupleSignature **t)
ComputeSelfDihedrals(ComputeID c, PatchID p)
static int pressureProfileSlabs
ComputeDihedrals(ComputeID c, PatchIDList &p)
static void getParameterPointers(Parameters *, const DihedralValue **)
static void getMoleculePointers(Molecule *, int *, int32 ***, Dihedral **)