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github.com/CompPhysVienna/n2p2
/ functions
Functions
1,062 in github.com/CompPhysVienna/n2p2
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Functions
1,062
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Types & classes
263
Method
setup
test/cpp/Example_nnp_atomenv.h:23
Method
setupElementMap
src/libnnpif/CabanaMD/ModeCabana_impl.h:34
Method
setupElements
src/libnnpif/CabanaMD/ModeCabana_impl.h:60
Method
setupFileOutput
src/libnnptrain/Training.cpp:3343
Method
setupNeuralNetwork
src/libnnpif/CabanaMD/ModeCabana_impl.h:443
Method
setupNeuralNetworkWeights
src/libnnpif/CabanaMD/ModeCabana_impl.h:530
Method
setupSelectionMode
src/libnnptrain/Training.cpp:3235
Method
setupSymmetryFunctionGroups
src/libnnpif/CabanaMD/ModeCabana_impl.h:381
Method
setupSymmetryFunctionGroups
src/libnnpif/CabanaMD/ElementCabana_impl.h:308
Method
setupSymmetryFunctionGroups
src/libnnp/Element.cpp:192
Method
setupSymmetryFunctionMemory
src/libnnp/Element.cpp:287
Method
setupSymmetryFunctionScaling
src/libnnpif/CabanaMD/ModeCabana_impl.h:237
Method
setupSymmetryFunctions
src/libnnpif/CabanaMD/ModeCabana_impl.h:113
Method
setupUpdatePlan
src/libnnptrain/Training.cpp:3405
Method
shuffleUpdateCandidates
src/libnnptrain/Training.cpp:1922
Method
sortMembers
src/libnnp/SymGrpCompAngn.cpp:93
Method
sortMembers
src/libnnp/SymGrpCompAngnWeighted.cpp:81
Method
sortMembers
src/libnnp/SymGrpCompAngw.cpp:93
Method
sortMembers
src/libnnp/SymGrpCompRad.cpp:91
Method
sortMembers
src/libnnp/SymGrpExpAngnWeighted.cpp:107
Method
sortMembers
src/libnnp/SymGrpCompAngwWeighted.cpp:81
Method
sortMembers
src/libnnp/SymGrpExpAngn.cpp:108
Method
sortMembers
src/libnnp/SymGrpExpAngw.cpp:108
Method
sortMembers
src/libnnp/SymGrpCompRadWeighted.cpp:82
Method
sortMembers
src/libnnp/SymGrpExpRadWeighted.cpp:104
Method
sortUpdateCandidates
src/libnnptrain/Training.cpp:1892
Method
status
src/libnnptrain/GradientDescent.cpp:144
Method
statusHeader
src/libnnptrain/GradientDescent.cpp:167
Method
stopTime
src/libnnp/Stopwatch.cpp:92
Method
test_Vec3D_initialization
(self)
test/python/test_Vec3D.py:39
Method
test_add_nonstring_entry
(self)
test/python/test_Log.py:25
Method
test_add_string_entry
(self)
test/python/test_Log.py:22
Method
test_added_Vec3D_unchanged
(self, v1, v2)
test/python/test_Vec3D.py:100
Method
test_boundaries
(self, c1, cf_type)
test/python/test_CutoffFunction.py:86
Method
test_boundaries
(self, c1, cf_type)
test/python/test_CutoffFunction.py:108
Method
test_boundaries
(self, c1, cf_type)
test/python/test_CutoffFunction.py:128
Method
test_components
(self, v1)
test/python/test_Vec3D.py:56
Method
test_components
(self, v1)
test/python/test_Vec3D.py:74
Method
test_correct_addition
(self, v1, v2)
test/python/test_Vec3D.py:95
Method
test_correct_element_index
(self, em1)
test/python/test_ElementMap.py:37
Method
test_correct_element_index
(self, em1)
test/python/test_ElementMap.py:61
Method
test_correct_element_index
(self, em1)
test/python/test_ElementMap.py:69
Method
test_correct_element_symbol
(self, em1)
test/python/test_ElementMap.py:40
Method
test_correct_elements_registered
(self)
test/python/test_ElementMap.py:28
Method
test_correct_empty_size_returned
(self)
test/python/test_ElementMap.py:54
Method
test_correct_float_division
(self, v1)
test/python/test_Vec3D.py:135
Method
test_correct_float_multiplication
(self, v1)
test/python/test_Vec3D.py:125
Method
test_correct_result
(self, v1)
test/python/test_Vec3D.py:195
Method
test_correct_result
(self, v1)
test/python/test_Vec3D.py:202
Method
test_correct_result
(self, v1)
test/python/test_Vec3D.py:208
Method
test_correct_result
(self, v1, v2)
test/python/test_Vec3D.py:219
Method
test_correct_result
(self, v1, v2)
test/python/test_Vec3D.py:238
Method
test_correct_result
(self, v1, v2)
test/python/test_Vec3D.py:257
Method
test_correct_result
(self, v1)
test/python/test_Vec3D.py:268
Method
test_correct_result
(self, v1)
test/python/test_Vec3D.py:288
Method
test_correct_return_type
(self, v1, v2)
test/python/test_Vec3D.py:216
Method
test_correct_return_type
(self, v1, v2)
test/python/test_Vec3D.py:231
Method
test_correct_return_type
(self, v1, v2)
test/python/test_Vec3D.py:250
Method
test_correct_return_type
(self, v1)
test/python/test_Vec3D.py:264
Method
test_correct_return_type
(self, v1)
test/python/test_Vec3D.py:282
Method
test_correct_size_returned
(self, em1)
test/python/test_ElementMap.py:57
Method
test_correct_subtraction
(self, v1, v2)
test/python/test_Vec3D.py:110
Method
test_correct_type
(self, l1)
test/python/test_Log.py:40
Method
test_correct_type
(self, n1)
test/python/test_Neighbor.py:40
Method
test_correct_type
(self, n1)
test/python/test_Neighbor.py:49
Method
test_correct_type
(self, n1)
test/python/test_Neighbor.py:58
Method
test_correct_type
(self, n1)
test/python/test_Neighbor.py:67
Method
test_correct_type
(self, n1)
test/python/test_Neighbor.py:76
Method
test_correct_type
(self, n1)
test/python/test_Neighbor.py:87
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:36
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:44
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:54
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:64
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:73
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:82
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:91
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:100
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:109
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:118
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:129
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:138
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:147
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:157
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:167
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:177
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:182
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:188
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:194
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:206
Method
test_correct_type
(self, a1)
test/python/test_Atom.py:212
Method
test_distance_different
(self, n1, n2)
test/python/test_Neighbor.py:97
Method
test_distance_different
(self, n1, n2)
test/python/test_Neighbor.py:111
Method
test_element_different
(self, n1, n2)
test/python/test_Neighbor.py:94
Method
test_element_different
(self, n1, n2)
test/python/test_Neighbor.py:108
Method
test_empty_initialization
(self)
test/python/test_CutoffFunction.py:50
Method
test_empty_initialization
(self)
test/python/test_Log.py:16
Method
test_empty_initialization
(self)
test/python/test_Vec3D.py:24
Method
test_empty_initialization
(self)
test/python/test_ElementMap.py:18
Method
test_empty_initialization
(self)
test/python/test_Settings.py:32
Method
test_empty_initialization
(self)
test/python/test_Neighbor.py:33
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