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Functions
1,062 in github.com/CompPhysVienna/n2p2
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Functions
1,062
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Types & classes
263
Method
test_setter_wrong_size
(self, v1)
test/python/test_Vec3D.py:301
Method
test_setter_wrong_type
(self, v1)
test/python/test_Vec3D.py:304
Method
test_skeleton_initialization
(self)
test/python/test_CutoffFunction.py:46
Method
test_skeleton_initialization
(self)
test/python/test_Log.py:12
Method
test_skeleton_initialization
(self)
test/python/test_Vec3D.py:21
Method
test_skeleton_initialization
(self)
test/python/test_ElementMap.py:14
Method
test_skeleton_initialization
(self)
test/python/test_Settings.py:28
Method
test_skeleton_initialization
(self)
test/python/test_Neighbor.py:29
Method
test_skeleton_initialization
(self)
test/python/test_Atom.py:25
Method
test_some_elements
(self, em1)
test/python/test_ElementMap.py:82
Method
test_string_content
(self, v1)
test/python/test_Vec3D.py:85
Method
test_subtracted_Vec3D_unchanged
(self, v1, v2)
test/python/test_Vec3D.py:115
Method
test_unknown_symbol
(self, em1)
test/python/test_ElementMap.py:46
Method
test_wrong_argument_type
(self, em1)
test/python/test_ElementMap.py:49
Method
test_wrong_argument_type
(self, em1)
test/python/test_ElementMap.py:64
Method
test_wrong_argument_type
(self, em1)
test/python/test_ElementMap.py:72
Method
test_wrong_type
(self, v1)
test/python/test_Vec3D.py:71
Method
test_wrong_type
(self, v1)
test/python/test_Vec3D.py:92
Method
test_wrong_type
(self, v1)
test/python/test_Vec3D.py:107
Method
test_wrong_type
(self, v1)
test/python/test_Vec3D.py:122
Method
test_wrong_type
(self, v1)
test/python/test_Vec3D.py:132
Method
test_wrong_type
(self, v1)
test/python/test_Vec3D.py:142
Method
test_wrong_type
(self, v1)
test/python/test_Vec3D.py:166
Method
test_wrong_type
(self, v1)
test/python/test_Vec3D.py:177
Method
test_wrong_type
(self, v1)
test/python/test_Vec3D.py:213
Method
test_wrong_type
(self, v1)
test/python/test_Vec3D.py:226
Method
test_wrong_type
(self, v1)
test/python/test_Vec3D.py:245
Method
test_wrong_type
(self, v1, v2)
test/python/test_Vec3D.py:275
Method
toNormalizedUnits
src/libnnp/Structure.cpp:479
Method
toNormalizedUnits
src/libnnptrain/Dataset.cpp:950
Method
toPhysicalUnits
src/libnnp/Structure.cpp:505
Method
toPhysicalUnits
src/libnnptrain/Dataset.cpp:961
Method
transferNeighborList
src/interface/LAMMPS/src/ML-HDNNP/pair_hdnnp.cpp:274
Method
unscale
src/libnnpif/CabanaMD/ElementCabana.h:340
Method
update
src/libnnptrain/GradientDescent.cpp:81
Method
update
src/libnnptrain/Training.cpp:2096
Method
update
src/libnnptrain/KalmanFilter.cpp:119
Method
updateError
src/libnnp/Structure.cpp:596
Method
updateTime
src/libnnp/Stopwatch.cpp:102
Function
v1
()
test/python/test_Vec3D.py:7
Function
v1
()
test/python/test_Atom.py:18
Function
v2
()
test/python/test_Vec3D.py:14
Method
writeLearningCurve
src/libnnptrain/Training.cpp:1595
Method
writeNeuronStatistics
src/libnnptrain/Training.cpp:1708
Method
writeNeuronStatisticsEpoch
src/libnnptrain/Training.cpp:1807
Method
writeSettingsFile
src/libnnp/Settings.cpp:274
Method
writeTimingData
src/libnnptrain/Training.cpp:3553
Method
writeUpdaterStatus
src/libnnptrain/Training.cpp:1857
Method
writeWeightsEpoch
src/libnnptrain/Training.cpp:1576
Method
~Dataset
src/libnnptrain/Dataset.cpp:46
Method
~Element
src/libnnp/Element.cpp:65
Method
~ElementCabana
src/libnnpif/CabanaMD/ElementCabana_impl.h:39
Method
~FixtureFourAtomsMixed
test/cpp/fixtures.h:145
Method
~FixtureThreeAtomsDual
test/cpp/fixtures.h:91
Method
~FixtureThreeAtomsMono
test/cpp/fixtures.h:47
Method
~GradientDescent
Destructor */
src/libnnptrain/GradientDescent.h:50
Method
~KalmanFilter
src/libnnptrain/KalmanFilter.cpp:72
Method
~NeuralNetwork
src/libnnp/NeuralNetwork.cpp:97
Method
~PairHDNNP
src/interface/LAMMPS/src/ML-HDNNP/pair_hdnnp.cpp:72
Method
~SymFnc
Virtual destructor */
src/libnnp/SymFnc.h:69
Method
~SymGrp
Virtual destructor. */
src/libnnp/SymGrp.h:37
Method
~Training
src/libnnptrain/Training.cpp:63
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