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gmx::Constraints Member List

This is the complete list of members for gmx::Constraints, including all inherited members.

apply(bool bLog, bool bEner, int64_t step, int delta_step, real step_scaling, ArrayRefWithPadding< RVec > x, ArrayRefWithPadding< RVec > xprime, ArrayRef< RVec > min_proj, const matrix box, real lambda, real *dvdlambda, ArrayRefWithPadding< RVec > v, bool computeVirial, tensor constraintsVirial, ConstraintVariable econq)gmx::Constraints
atom2constraints_moltype() const gmx::Constraints
atom2settle_moltype() const gmx::Constraints
havePerturbedConstraints() const gmx::Constraints
numFlexibleConstraints() const gmx::Constraints
rmsd() const gmx::Constraints
saveEdsamPointer(gmx_edsam *ed)gmx::Constraints
setConstraints(gmx_localtop_t *top, int numAtoms, int numHomeAtoms, gmx::ArrayRef< const real > masses, gmx::ArrayRef< const real > inverseMasses, bool hasMassPerturbedAtoms, real lambda, gmx::ArrayRef< const unsigned short > cFREEZE)gmx::Constraints
~Constraints() (defined in gmx::Constraints)gmx::Constraints