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root/OpenMD/trunk/src/brains
r2046
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BlockSnapshotManager.cpp 1966 (11 years ago) by gezelter: More changes for memory management.
BlockSnapshotManager.hpp 1879 (12 years ago) by gezelter: MERGE OpenMD development 1783:1878 into trunk
DataStorage.cpp 1993 (11 years ago) by gezelter: Added sitePotentials for the Choi et al. potential-frequency maps for nitriles
DataStorage.hpp 1993 (11 years ago) by gezelter: Added sitePotentials for the Choi et al. potential-frequency maps for nitriles
ForceField.cpp 1905 (12 years ago) by gezelter: fixing Luttinger Tisza stuff for Madan, fixing Inversions and wild Cards for James
ForceField.hpp 1879 (12 years ago) by gezelter: MERGE OpenMD development 1783:1878 into trunk
ForceManager.cpp 2033 (10 years ago) by gezelter: Fixed a selection issue in ParticleTimeCorrFunc, other whitespace stuff
ForceManager.hpp 1993 (11 years ago) by gezelter: Added sitePotentials for the Choi et al. potential-frequency maps for nitriles
MoleculeCreator.cpp 2046 (10 years ago) by gezelter: Fixed some broken comments for use with Doxygen. Made changes to allow topology-based force-field overrides in include files. Fixed a calculation of box quadrupole moments for molecules with point dipoles.
MoleculeCreator.hpp 1953 (11 years ago) by gezelter: Rewrote much of selection module, added a bond correlation function
PairList.cpp 1879 (12 years ago) by gezelter: MERGE OpenMD development 1783:1878 into trunk
PairList.hpp 1879 (12 years ago) by gezelter: MERGE OpenMD development 1783:1878 into trunk
Register.cpp 2011 (10 years ago) by gezelter: Added NPA integrator
Register.hpp 1879 (12 years ago) by gezelter: MERGE OpenMD development 1783:1878 into trunk
SimCreator.cpp 2045 (10 years ago) by gezelter: Starting to get ready for 2.3 release. Separating type parsers from io routines. Fixing old samples to use newer syntax.
SimCreator.hpp 1879 (12 years ago) by gezelter: MERGE OpenMD development 1783:1878 into trunk
SimInfo.cpp 2022 (10 years ago) by gezelter: Added support for accumulateBoxQuadrupole flag
SimInfo.hpp 2022 (10 years ago) by gezelter: Added support for accumulateBoxQuadrupole flag
SimSnapshotManager.cpp 1879 (12 years ago) by gezelter: MERGE OpenMD development 1783:1878 into trunk
SimSnapshotManager.hpp 1879 (12 years ago) by gezelter: MERGE OpenMD development 1783:1878 into trunk
Snapshot.cpp 2024 (10 years ago) by gezelter: Added Radial and Z-projected velocity autocorrelation functions Started to add SequentialProps program Mucking about with angular restraint potentials
Snapshot.hpp 2022 (10 years ago) by gezelter: Added support for accumulateBoxQuadrupole flag
SnapshotManager.hpp 1879 (12 years ago) by gezelter: MERGE OpenMD development 1783:1878 into trunk
Stats.cpp 2046 (10 years ago) by gezelter: Fixed some broken comments for use with Doxygen. Made changes to allow topology-based force-field overrides in include files. Fixed a calculation of box quadrupole moments for molecules with point dipoles.
Stats.hpp 2046 (10 years ago) by gezelter: Fixed some broken comments for use with Doxygen. Made changes to allow topology-based force-field overrides in include files. Fixed a calculation of box quadrupole moments for molecules with point dipoles.
Thermo.cpp 2046 (10 years ago) by gezelter: Fixed some broken comments for use with Doxygen. Made changes to allow topology-based force-field overrides in include files. Fixed a calculation of box quadrupole moments for molecules with point dipoles.
Thermo.hpp 2022 (10 years ago) by gezelter: Added support for accumulateBoxQuadrupole flag
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