ViewVC Help
| View Changeset | Root Listing
root/OpenMD
Jump to revision: Previous Next
Author: gezelter
Date: Fri May 18 21:44:02 2012 UTC (12 years, 11 months ago)
Log Message:
Added an adapter layer between the AtomType and the rest of the code to 
handle the bolt-on capabilities of new types. 

Fixed a long-standing bug in how storageLayout was being set to the maximum
possible value.

Started to add infrastructure for Polarizable and fluc-Q calculations.

Changed paths

Path Details
Directorybranches/development/CMakeLists.txt modified , text changed
Directorybranches/development/samples/argon/ar864.md modified , text changed
Directorybranches/development/src/UseTheForce/EADM_FF.cpp modified , text changed
Directorybranches/development/src/UseTheForce/EAM_FF.cpp modified , text changed
Directorybranches/development/src/UseTheForce/ForceField.cpp modified , text changed
Directorybranches/development/src/UseTheForce/MnM_FF.cpp modified , text changed
Directorybranches/development/src/applications/hydrodynamics/BeadModel.cpp modified , text changed
Directorybranches/development/src/applications/hydrodynamics/ShapeBuilder.cpp modified , text changed
Directorybranches/development/src/applications/staticProps/DensityPlot.cpp modified , text changed
Directorybranches/development/src/brains/DataStorage.cpp modified , text changed
Directorybranches/development/src/brains/DataStorage.hpp modified , text changed
Directorybranches/development/src/brains/ForceManager.cpp modified , text changed
Directorybranches/development/src/brains/MoleculeCreator.cpp modified , text changed
Directorybranches/development/src/brains/SimCreator.cpp modified , text changed
Directorybranches/development/src/brains/SimCreator.hpp modified , text changed
Directorybranches/development/src/brains/SimSnapshotManager.hpp modified , text changed
Directorybranches/development/src/brains/Stats.cpp replaced
Directorybranches/development/src/brains/Stats.hpp replaced
Directorybranches/development/src/brains/Thermo.cpp modified , text changed
Directorybranches/development/src/integrators/LDForceManager.cpp modified , text changed
Directorybranches/development/src/integrators/NVT.cpp modified , text changed
Directorybranches/development/src/io/ChargeAtomTypesSectionParser.cpp modified , text changed
Directorybranches/development/src/io/ChargeAtomTypesSectionParser.hpp modified , text changed
Directorybranches/development/src/io/DirectionalAtomTypesSectionParser.cpp modified , text changed
Directorybranches/development/src/io/DirectionalAtomTypesSectionParser.hpp modified , text changed
Directorybranches/development/src/io/EAMAtomTypesSectionParser.cpp modified , text changed
Directorybranches/development/src/io/EAMAtomTypesSectionParser.hpp modified , text changed
Directorybranches/development/src/io/FluctuatingChargeAtomTypesSectionParser.cpp added
Directorybranches/development/src/io/FluctuatingChargeAtomTypesSectionParser.hpp added
Directorybranches/development/src/io/GayBerneAtomTypesSectionParser.cpp modified , text changed
Directorybranches/development/src/io/GayBerneAtomTypesSectionParser.hpp modified , text changed
Directorybranches/development/src/io/LennardJonesAtomTypesSectionParser.cpp modified , text changed
Directorybranches/development/src/io/LennardJonesAtomTypesSectionParser.hpp modified , text changed
Directorybranches/development/src/io/MultipoleAtomTypesSectionParser.cpp modified , text changed
Directorybranches/development/src/io/MultipoleAtomTypesSectionParser.hpp modified , text changed
Directorybranches/development/src/io/PolarizableAtomTypesSectionParser.cpp added
Directorybranches/development/src/io/PolarizableAtomTypesSectionParser.hpp added
Directorybranches/development/src/io/SCAtomTypesSectionParser.cpp modified , text changed
Directorybranches/development/src/io/SCAtomTypesSectionParser.hpp modified , text changed
Directorybranches/development/src/io/ShapeAtomTypesSectionParser.cpp modified , text changed
Directorybranches/development/src/io/ShapeAtomTypesSectionParser.hpp modified , text changed
Directorybranches/development/src/io/StickyAtomTypesSectionParser.cpp modified , text changed
Directorybranches/development/src/io/StickyPowerAtomTypesSectionParser.cpp modified , text changed
Directorybranches/development/src/nonbonded/EAM.cpp modified , text changed
Directorybranches/development/src/nonbonded/EAM.hpp modified , text changed
Directorybranches/development/src/nonbonded/Electrostatic.cpp modified , text changed
Directorybranches/development/src/nonbonded/GB.cpp modified , text changed
Directorybranches/development/src/nonbonded/GB.hpp modified , text changed
Directorybranches/development/src/nonbonded/InteractionManager.cpp modified , text changed
Directorybranches/development/src/nonbonded/LJ.cpp modified , text changed
Directorybranches/development/src/nonbonded/LJ.hpp modified , text changed
Directorybranches/development/src/nonbonded/SC.cpp modified , text changed
Directorybranches/development/src/nonbonded/SC.hpp modified , text changed
Directorybranches/development/src/nonbonded/Sticky.cpp modified , text changed
Directorybranches/development/src/nonbonded/Sticky.hpp modified , text changed
Directorybranches/development/src/primitives/Atom.hpp modified , text changed
Directorybranches/development/src/primitives/DirectionalAtom.cpp modified , text changed
Directorybranches/development/src/primitives/DirectionalAtom.hpp modified , text changed
Directorybranches/development/src/primitives/StuntDouble.cpp modified , text changed
Directorybranches/development/src/primitives/StuntDouble.hpp modified , text changed
Directorybranches/development/src/types/AtomType.cpp modified , text changed
Directorybranches/development/src/types/AtomType.hpp modified , text changed
Directorybranches/development/src/types/AtomTypeProperties.h deleted
Directorybranches/development/src/types/DirectionalAdapter.cpp added
Directorybranches/development/src/types/DirectionalAdapter.hpp added
Directorybranches/development/src/types/DirectionalAtomType.cpp deleted
Directorybranches/development/src/types/DirectionalAtomType.hpp deleted
Directorybranches/development/src/types/EAMAdapter.cpp added
Directorybranches/development/src/types/EAMAdapter.hpp added
Directorybranches/development/src/types/FixedChargeAdapter.cpp added
Directorybranches/development/src/types/FixedChargeAdapter.hpp added
Directorybranches/development/src/types/FluctuatingAtomType.hpp deleted
Directorybranches/development/src/types/FluctuatingChargeAdapter.cpp added
Directorybranches/development/src/types/FluctuatingChargeAdapter.hpp added
Directorybranches/development/src/types/GayBerneAdapter.cpp added
Directorybranches/development/src/types/GayBerneAdapter.hpp added
Directorybranches/development/src/types/LennardJonesAdapter.cpp added
Directorybranches/development/src/types/LennardJonesAdapter.hpp added
Directorybranches/development/src/types/MultipoleAdapter.cpp added
Directorybranches/development/src/types/MultipoleAdapter.hpp added
Directorybranches/development/src/types/PolarizableAdapter.cpp added
Directorybranches/development/src/types/PolarizableAdapter.hpp added
Directorybranches/development/src/types/PolarizableAtomType.cpp deleted
Directorybranches/development/src/types/PolarizableAtomType.hpp deleted
Directorybranches/development/src/types/ShapeAtomType.cpp modified , text changed
Directorybranches/development/src/types/ShapeAtomType.hpp modified , text changed
Directorybranches/development/src/types/StickyAdapter.cpp added
Directorybranches/development/src/types/StickyAdapter.hpp added
Directorybranches/development/src/types/SuttonChenAdapter.cpp added
Directorybranches/development/src/types/SuttonChenAdapter.hpp added
Directorybranches/development/src/utils/PropertyMap.cpp modified , text changed
Directorybranches/development/src/utils/PropertyMap.hpp modified , text changed