Searched refs:atomReferencePositions_ (Results 1 – 8 of 8) sorted by relevance
54 atomReferencePositions_(NULL), in ATC_Method()1193 else if (atomReferencePositions_) { in adjust_xref_pbc()1194 atomReferencePositions_->force_reset(); in adjust_xref_pbc()1360 atomReferencePositions_ = myAtomReferencePositions; in set_computational_geometry()1363 atomReferencePositions_->set_memory_type(PERSISTENT); in set_computational_geometry()1386 atomReferencePositions_ = atomCoarseGrainingPositions_; in set_computational_geometry()
657 atomReferencePositions_(atomReferencePositions) in AtomicMassWeightedDisplacement()666 if (!atomReferencePositions_) in AtomicMassWeightedDisplacement()667 … atomReferencePositions_ = interscaleManager.per_atom_quantity("AtomicCoarseGrainingPositions"); in AtomicMassWeightedDisplacement()671 atomReferencePositions_->register_dependence(this); in AtomicMassWeightedDisplacement()681 atomReferencePositions_->remove_dependence(this); in ~AtomicMassWeightedDisplacement()693 const DENS_MAT & refPosition(atomReferencePositions_->quantity()); in reset()
431 PerAtomQuantity<double> * atom_reference_positions() { return atomReferencePositions_; } in atom_reference_positions()603 PerAtomQuantity<double> * atomReferencePositions_; variable
445 PerAtomQuantity<double> * atomReferencePositions_; variable
54 atomReferencePositions_(nullptr), in ATC_Method()1228 else if (atomReferencePositions_) { in adjust_xref_pbc()1229 atomReferencePositions_->force_reset(); in adjust_xref_pbc()1428 atomReferencePositions_ = myAtomReferencePositions; in set_computational_geometry()1431 atomReferencePositions_->set_memory_type(PERSISTENT); in set_computational_geometry()1454 atomReferencePositions_ = atomCoarseGrainingPositions_; in set_computational_geometry()
437 PerAtomQuantity<double> * atom_reference_positions() { return atomReferencePositions_; } in atom_reference_positions()610 PerAtomQuantity<double> * atomReferencePositions_; variable