 ../
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AmberImproperTorsionType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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AtomStamp.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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AtomStamp.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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AtomType.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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AtomType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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BendStamp.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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BendStamp.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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BendType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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BondStamp.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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BondStamp.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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BondType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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CharmmTorsionType.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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CharmmTorsionType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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Component.cpp
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1908
(12 years ago)
by gezelter:
Added infrastructure for region-constrained fluctuating charges.
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Component.hpp
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1908
(12 years ago)
by gezelter:
Added infrastructure for region-constrained fluctuating charges.
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ConstraintStamp.cpp
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1979
(11 years ago)
by gezelter:
* Changed the stdDev printouts in RNEMD stats to the 95% confidence intervals
* Added the ability to specify non-bonded constraints in a molecule
* Added the ability to do selection offsets in the pAngle staticProps module
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ConstraintStamp.hpp
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1979
(11 years ago)
by gezelter:
* Changed the stdDev printouts in RNEMD stats to the 95% confidence intervals
* Added the ability to specify non-bonded constraints in a molecule
* Added the ability to do selection offsets in the pAngle staticProps module
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CosineBendType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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CubicBendType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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CubicBondType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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CubicTorsionType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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CutoffGroupStamp.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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CutoffGroupStamp.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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DataHolder.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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DirectionalAdapter.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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DirectionalAdapter.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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EAMAdapter.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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EAMAdapter.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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FixedBondType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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FixedChargeAdapter.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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FixedChargeAdapter.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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FluctuatingChargeAdapter.cpp
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1969
(11 years ago)
by gezelter:
Fixes to deal with deprecation of MPI C++ bindings. We've reverted back to the
C calls.
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FluctuatingChargeAdapter.hpp
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1969
(11 years ago)
by gezelter:
Fixes to deal with deprecation of MPI C++ bindings. We've reverted back to the
C calls.
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FragmentStamp.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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FragmentStamp.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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GayBerneAdapter.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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GayBerneAdapter.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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HarmonicBendType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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HarmonicBondType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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HarmonicInversionType.hpp
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1890
(12 years ago)
by gezelter:
Adding HarmonicInversionType for GROMOS and CHARMM style force fields.
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HarmonicTorsionType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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ImproperCosineInversionType.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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ImproperCosineInversionType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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InversionStamp.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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InversionStamp.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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InversionType.hpp
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1890
(12 years ago)
by gezelter:
Adding HarmonicInversionType for GROMOS and CHARMM style force fields.
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LennardJonesAdapter.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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LennardJonesAdapter.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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LennardJonesInteractionType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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MAWInteractionType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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MoleculeStamp.cpp
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1979
(11 years ago)
by gezelter:
* Changed the stdDev printouts in RNEMD stats to the 95% confidence intervals
* Added the ability to specify non-bonded constraints in a molecule
* Added the ability to do selection offsets in the pAngle staticProps module
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MoleculeStamp.hpp
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1979
(11 years ago)
by gezelter:
* Changed the stdDev printouts in RNEMD stats to the 95% confidence intervals
* Added the ability to specify non-bonded constraints in a molecule
* Added the ability to do selection offsets in the pAngle staticProps module
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MorseBondType.hpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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MorseInteractionType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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MultipoleAdapter.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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MultipoleAdapter.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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NonBondedInteractionType.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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NonBondedInteractionType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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OplsTorsionType.hpp
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1995
(11 years ago)
by gezelter:
Torsion changes for 180_trans
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PolarizableAdapter.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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PolarizableAdapter.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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PolynomialBendType.hpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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PolynomialBondType.hpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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PolynomialInversionType.hpp
|
1890
(12 years ago)
by gezelter:
Adding HarmonicInversionType for GROMOS and CHARMM style force fields.
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PolynomialTorsionType.hpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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QuarticBendType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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QuarticBondType.hpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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QuarticTorsionType.hpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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RepulsivePowerInteractionType.hpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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RestraintStamp.cpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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RestraintStamp.hpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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RigidBodyStamp.cpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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RigidBodyStamp.hpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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ShapeAtomType.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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ShapeAtomType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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StickyAdapter.cpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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StickyAdapter.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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SuttonChenAdapter.cpp
|
1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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SuttonChenAdapter.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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TorsionStamp.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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TorsionStamp.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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TorsionType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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TrappeTorsionType.hpp
|
1995
(11 years ago)
by gezelter:
Torsion changes for 180_trans
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UreyBradleyBendType.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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ZconsStamp.cpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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ZconsStamp.hpp
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1879
(12 years ago)
by gezelter:
MERGE OpenMD development 1783:1878 into trunk
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