MCPcopy Create free account
hub / github.com/SINGROUP/dscribe / create

Method create

dscribe/ext/acsf.cpp:104–112  ·  view source on GitHub ↗

Source from the content-addressed store, hash-verified

102}
103
104void ACSF::create(
105 py::array_t<double> out,
106 py::array_t<double> positions,
107 py::array_t<int> atomic_numbers,
108 py::array_t<double> centers,
109 CellList cell_list
110)
111{
112}
113
114void ACSF::create(
115 py::array_t<double> out,

Callers 15

test_featuresFunction · 0.95
test_jk_distance_bigger_than_cutoffFunction · 0.95
test_periodicityFunction · 0.95
test_differenceFunction · 0.45
test_metricsFunction · 0.45
test_xyFunction · 0.45
test_sparseFunction · 0.45
test_convergence_infinityFunction · 0.45
test_performanceFunction · 0.45
assert_symmetry_rotationFunction · 0.45
assert_symmetry_translationFunction · 0.45
assert_symmetry_permutationFunction · 0.45

Calls 1

getNeighboursForIndexMethod · 0.80

Tested by 15

test_featuresFunction · 0.76
test_jk_distance_bigger_than_cutoffFunction · 0.76
test_periodicityFunction · 0.76
test_differenceFunction · 0.36
test_metricsFunction · 0.36
test_xyFunction · 0.36
test_sparseFunction · 0.36
test_convergence_infinityFunction · 0.36
test_performanceFunction · 0.36
assert_symmetry_rotationFunction · 0.36
assert_symmetry_translationFunction · 0.36
assert_symmetry_permutationFunction · 0.36