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../
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ConstantPotentialUnitTest.cpp
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2.9 KB
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8203ce8
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12 years
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FrederikHeber |
Added ConstantPotential to fit a non-zero offset in potential energy.
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ConstantPotentialUnitTest.hpp
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855 bytes
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8203ce8
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12 years
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FrederikHeber |
Added ConstantPotential to fit a non-zero offset in potential energy.
…
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FourBodyPotential_ImproperUnitTest.cpp
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5.2 KB
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791a12
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12 years
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FrederikHeber |
Added improper potential based on torsion potential with flipped …
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FourBodyPotential_ImproperUnitTest.hpp
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1.1 KB
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791a12
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12 years
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FrederikHeber |
Added improper potential based on torsion potential with flipped …
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FourBodyPotential_TorsionUnitTest.cpp
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5.2 KB
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e2037e
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12 years
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FrederikHeber |
Added FourBodyPotential_Torsion.
- also added regression test to …
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FourBodyPotential_TorsionUnitTest.hpp
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1.1 KB
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e2037e
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12 years
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FrederikHeber |
Added FourBodyPotential_Torsion.
- also added regression test to …
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Makefile.am
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4.5 KB
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791a12
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12 years
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FrederikHeber |
Added improper potential based on torsion potential with flipped …
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ManyBodyPotential_TersoffUnitTest.cpp
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13.0 KB
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775dd1a
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13 years
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FrederikHeber |
Triplefunction for Saturation and Tersoff potential have to be given …
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ManyBodyPotential_TersoffUnitTest.hpp
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1.3 KB
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eb1efe
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13 years
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FrederikHeber |
Extended LevMartester to fit a Tersoff potential to the first order …
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PairPotential_HarmonicUnitTest.cpp
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4.0 KB
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acc9b1
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12 years
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FrederikHeber |
FIX: Added new copyright lines to files in src/Potentials, too.
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PairPotential_HarmonicUnitTest.hpp
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999 bytes
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3c1465
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13 years
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FrederikHeber |
Added PairPotential_HarmonicUnitTest.
- so far, we test the …
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PairPotential_LennardJonesUnitTest.cpp
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4.5 KB
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1413f4
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12 years
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FrederikHeber |
Added LennardJones pair potential.
- this is for later fitting …
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PairPotential_LennardJonesUnitTest.hpp
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1.0 KB
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1413f4
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12 years
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FrederikHeber |
Added LennardJones pair potential.
- this is for later fitting …
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PairPotential_MorseUnitTest.cpp
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4.6 KB
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acc9b1
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12 years
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FrederikHeber |
FIX: Added new copyright lines to files in src/Potentials, too.
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PairPotential_MorseUnitTest.hpp
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1000 bytes
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76cbd0
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13 years
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FrederikHeber |
Added PairPotential_MorseUnitTest.
- so far, added simple test on …
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ThreeBodyPotential_AngleUnitTest.cpp
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4.6 KB
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484e2a
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12 years
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FrederikHeber |
Renamed PairPotential_Angle -> ThreeBodyPotential_Angle and also UnitTest.
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ThreeBodyPotential_AngleUnitTest.hpp
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1.1 KB
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484e2a
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12 years
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FrederikHeber |
Renamed PairPotential_Angle -> ThreeBodyPotential_Angle and also UnitTest.
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