Gromacs
2026.0-dev-20250113-1a1a8db
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This is the complete list of members for gmx::Constraints, including all inherited members.
apply(bool computeRmsd, 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 *dhdlambda, 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 | |
numConstraintsTotal() | 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 |