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Functions2,448 in github.com/SINGROUP/dscribe

⨍ Functions 2,448◇ Types & classes 31↳ Endpoints 3
↓ 2 callersFunctionb
(e,t,n)
docs/1.0.x/_static/jquery.js:2
↓ 2 callersFunctionb
(a)
docs/1.0.x/_static/js/modernizr.min.js:4
↓ 2 callersFunctionb
(e,t,n)
docs/0.3.x/_static/jquery.js:2
↓ 2 callersFunctionb
(a)
docs/0.3.x/_static/js/modernizr.min.js:4
↓ 2 callersFunctionb
(e,t,n)
docs/1.1.x/_static/jquery.js:2
↓ 2 callersFunctionb
(a)
docs/1.1.x/_static/js/modernizr.min.js:4
↓ 2 callersFunctionb
(e,t,n)
docs/1.2.x/_static/jquery.js:2
↓ 2 callersFunctionb
(e,t,n)
docs/2.0.x/_static/jquery.js:2
↓ 2 callersFunctionbaseCreate
(prototype)
docs/1.1.x/_static/underscore-1.12.0.js:610
↓ 2 callersFunctionbaseCreate
(prototype)
docs/1.2.x/_static/underscore-1.13.1.js:610
↓ 2 callersFunctionbaseIteratee
(value, context, argCount)
docs/1.1.x/_static/underscore-1.12.0.js:737
↓ 2 callersFunctionbaseIteratee
(value, context, argCount)
docs/1.2.x/_static/underscore-1.13.1.js:737
↓ 2 callersFunctionbuildFragment
( elems, context, scripts, selection, ignored )
docs/0.4.x/_static/jquery-3.5.1.js:5002
↓ 2 callersFunctionbuildFragment
( elems, context, scripts, selection, ignored )
docs/1.0.x/_static/jquery-3.5.1.js:5002
↓ 2 callersFunctionbuildFragment
( elems, context, scripts, selection, ignored )
docs/0.3.x/_static/jquery-3.5.1.js:5002
↓ 2 callersFunctionbuildFragment
( elems, context, scripts, selection, ignored )
docs/1.1.x/_static/jquery-3.5.1.js:5002
↓ 2 callersFunctionbuildFragment
( elems, context, scripts, selection, ignored )
docs/1.2.x/_static/jquery-3.6.0.js:5006
↓ 2 callersFunctionc
()
docs/2.1.x/_static/jquery.js:2
↓ 2 callersFunctionc
(a,b)
docs/2.1.x/_static/js/html5shiv-printshiv.min.js:4
↓ 2 callersFunctionc
()
docs/0.4.x/_static/jquery.js:2
↓ 2 callersFunctionc
(a,b)
docs/0.4.x/_static/js/html5shiv-printshiv.min.js:4
↓ 2 callersFunctionc
()
docs/1.0.x/_static/jquery.js:2
↓ 2 callersFunctionc
(a,b)
docs/1.0.x/_static/js/html5shiv-printshiv.min.js:4
↓ 2 callersFunctionc
()
docs/0.3.x/_static/jquery.js:2
↓ 2 callersFunctionc
(a,b)
docs/0.3.x/_static/js/html5shiv-printshiv.min.js:4
↓ 2 callersFunctionc
()
docs/1.1.x/_static/jquery.js:2
↓ 2 callersFunctionc
(a,b)
docs/1.1.x/_static/js/html5shiv-printshiv.min.js:4
↓ 2 callersFunctionc
()
docs/1.2.x/_static/jquery.js:2
↓ 2 callersFunctionc
(a,b)
docs/1.2.x/_static/js/html5shiv-printshiv.min.js:4
↓ 2 callersFunctionc
()
docs/2.0.x/_static/jquery.js:2
↓ 2 callersFunctionc
(a,b)
docs/2.0.x/_static/js/html5shiv-printshiv.min.js:4
↓ 2 callersFunctioncheck_geometry
Used to ensure that the given geometry settings are valid. Args: geometry: Dictionary containing the geometry setup.
dscribe/descriptors/mbtr.py:55
↓ 2 callersFunctioncheck_grid
Used to ensure that the given grid settings are valid. Args: grid(dict): Dictionary containing the grid setup.
dscribe/descriptors/mbtr.py:35
↓ 2 callersFunctioncheck_modifications
(system)
tests/conftest.py:523
↓ 2 callersFunctioncheck_weighting
Used to ensure that the given weighting settings are valid. Args: k: The MBTR degree. weighting: Dictionary containing the weight
dscribe/descriptors/mbtr.py:75
↓ 2 callersFunctioncleanSpan
(string)
docs/2.1.x/_static/js/spamspan.js:88
↓ 2 callersFunctioncleanSpan
(string)
docs/0.4.x/_static/js/spamspan.js:88
↓ 2 callersFunctioncleanSpan
(string)
docs/1.0.x/_static/js/spamspan.js:88
↓ 2 callersFunctioncleanSpan
(string)
docs/src/_static/js/spamspan.js:88
↓ 2 callersFunctioncleanSpan
(string)
docs/0.3.x/_static/js/spamspan.js:88
↓ 2 callersFunctioncleanSpan
(string)
docs/1.1.x/_static/js/spamspan.js:88
↓ 2 callersFunctioncleanSpan
(string)
docs/1.2.x/_static/js/spamspan.js:88
↓ 2 callersFunctioncleanSpan
(string)
docs/2.0.x/_static/js/spamspan.js:88
↓ 2 callersFunctioncloneCopyEvent
( src, dest )
docs/0.4.x/_static/jquery-3.5.1.js:6001
↓ 2 callersFunctioncloneCopyEvent
( src, dest )
docs/1.0.x/_static/jquery-3.5.1.js:6001
↓ 2 callersFunctioncloneCopyEvent
( src, dest )
docs/0.3.x/_static/jquery-3.5.1.js:6001
↓ 2 callersFunctioncloneCopyEvent
( src, dest )
docs/1.1.x/_static/jquery-3.5.1.js:6001
↓ 2 callersFunctioncloneCopyEvent
( src, dest )
docs/1.2.x/_static/jquery-3.6.0.js:5987
↓ 2 callersFunctioncm_python
Calculates a python reference value for the Coulomb matrix.
tests/test_coulombmatrix.py:27
↓ 2 callersFunctioncollectNonEnumProps
(obj, keys)
docs/1.1.x/_static/underscore-1.12.0.js:263
↓ 2 callersFunctioncollectNonEnumProps
(obj, keys)
docs/1.2.x/_static/underscore-1.13.1.js:263
↓ 2 callersMethodcreate
dscribe/ext/descriptorglobal.cpp:29
↓ 2 callersMethodcreate
dscribe/ext/coulombmatrix.cpp:40
↓ 2 callersMethodcreate
dscribe/ext/descriptorlocal.cpp:30
↓ 2 callersFunctioncreateDisabledPseudo
* Returns a function to use in pseudos for :enabled/:disabled * @param {Boolean} disabled true for :disabled; false for :enabled
docs/0.4.x/_static/jquery-3.5.1.js:1019
↓ 2 callersFunctioncreateDisabledPseudo
* Returns a function to use in pseudos for :enabled/:disabled * @param {Boolean} disabled true for :disabled; false for :enabled
docs/1.0.x/_static/jquery-3.5.1.js:1019
↓ 2 callersFunctioncreateDisabledPseudo
* Returns a function to use in pseudos for :enabled/:disabled * @param {Boolean} disabled true for :disabled; false for :enabled
docs/0.3.x/_static/jquery-3.5.1.js:1019
↓ 2 callersFunctioncreateDisabledPseudo
* Returns a function to use in pseudos for :enabled/:disabled * @param {Boolean} disabled true for :disabled; false for :enabled
docs/1.1.x/_static/jquery-3.5.1.js:1019
↓ 2 callersFunctioncreateDisabledPseudo
* Returns a function to use in pseudos for :enabled/:disabled * @param {Boolean} disabled true for :disabled; false for :enabled
docs/1.2.x/_static/jquery-3.6.0.js:1023
↓ 2 callersFunctioncreateEscaper
(map)
docs/1.1.x/_static/underscore-1.12.0.js:808
↓ 2 callersFunctioncreateEscaper
(map)
docs/1.2.x/_static/underscore-1.13.1.js:808
↓ 2 callersFunctioncreateFxNow
()
docs/0.4.x/_static/jquery-3.5.1.js:7282
↓ 2 callersFunctioncreateFxNow
()
docs/1.0.x/_static/jquery-3.5.1.js:7282
↓ 2 callersFunctioncreateFxNow
()
docs/0.3.x/_static/jquery-3.5.1.js:7282
↓ 2 callersFunctioncreateFxNow
()
docs/1.1.x/_static/jquery-3.5.1.js:7282
↓ 2 callersFunctioncreateFxNow
()
docs/1.2.x/_static/jquery-3.6.0.js:7287
↓ 2 callersFunctioncreateIndexFinder
(dir, predicateFind, sortedIndex)
docs/1.1.x/_static/underscore-1.12.0.js:1259
↓ 2 callersFunctioncreateIndexFinder
(dir, predicateFind, sortedIndex)
docs/1.2.x/_static/underscore-1.13.1.js:1274
↓ 2 callersFunctioncreatePredicateIndexFinder
(dir)
docs/1.1.x/_static/underscore-1.12.0.js:1227
↓ 2 callersFunctioncreatePredicateIndexFinder
(dir)
docs/1.2.x/_static/underscore-1.13.1.js:1242
↓ 2 callersFunctioncreateReduce
(dir)
docs/1.1.x/_static/underscore-1.12.0.js:1340
↓ 2 callersFunctioncreateReduce
(dir)
docs/1.2.x/_static/underscore-1.13.1.js:1355
↓ 2 callersFunctioncreateSizePropertyCheck
(getSizeProperty)
docs/1.1.x/_static/underscore-1.12.0.js:209
↓ 2 callersFunctioncreateSizePropertyCheck
(getSizeProperty)
docs/1.2.x/_static/underscore-1.13.1.js:209
↓ 2 callersFunctiond
()
docs/2.1.x/_static/js/html5shiv.min.js:4
↓ 2 callersFunctiond
()
docs/1.1.x/_static/js/html5shiv.min.js:4
↓ 2 callersFunctiond
()
docs/2.0.x/_static/js/html5shiv.min.js:4
↓ 2 callersFunctiondataAttr
( elem, key, data )
docs/0.4.x/_static/jquery-3.5.1.js:4426
↓ 2 callersFunctiondataAttr
( elem, key, data )
docs/1.0.x/_static/jquery-3.5.1.js:4426
↓ 2 callersFunctiondataAttr
( elem, key, data )
docs/0.3.x/_static/jquery-3.5.1.js:4426
↓ 2 callersFunctiondataAttr
( elem, key, data )
docs/1.1.x/_static/jquery-3.5.1.js:4426
↓ 2 callersFunctiondataAttr
( elem, key, data )
docs/1.2.x/_static/jquery-3.6.0.js:4430
↓ 2 callersMethodderivatives_analytical
(self, d, c, system, indices, return_descriptor)
dscribe/descriptors/mbtr.py:928
↓ 2 callersMethodderivatives_parallel
Used to parallelize the descriptor creation across multiple systems. Args: inp(list): Contains a tuple of input arguments for eac
dscribe/descriptors/descriptor.py:423
↓ 2 callersFunctiondr
(n,r,t)
docs/1.2.x/_static/underscore.js:6
↓ 2 callersFunctione
(a,b)
docs/2.1.x/_static/js/html5shiv.min.js:4
↓ 2 callersFunctione
(a,b)
docs/0.4.x/_static/js/html5shiv.min.js:4
↓ 2 callersFunctione
(a,b)
docs/1.0.x/_static/js/html5shiv.min.js:4
↓ 2 callersFunctione
(a,b)
docs/0.3.x/_static/js/html5shiv.min.js:4
↓ 2 callersFunctione
()
docs/1.1.x/_static/underscore.js:6
↓ 2 callersFunctione
(a,b)
docs/1.1.x/_static/js/html5shiv.min.js:4
↓ 2 callersFunctione
()
docs/1.2.x/_static/underscore.js:6
↓ 2 callersFunctione
(a,b)
docs/1.2.x/_static/js/html5shiv.min.js:4
↓ 2 callersFunctione
(a,b)
docs/2.0.x/_static/js/html5shiv.min.js:4
↓ 2 callersFunctionen
(n)
docs/1.1.x/_static/underscore.js:6
↓ 2 callersFunctionen
(n)
docs/1.2.x/_static/underscore.js:6
↓ 2 callersFunctionenergy_force_loss
Custom loss function that targets both energies and forces.
examples/forces_and_energies/training_pytorch.py:80
↓ 2 callersFunctionexecuteBound
(sourceFunc, boundFunc, context, callingContext, args)
docs/1.1.x/_static/underscore-1.12.0.js:970
↓ 2 callersFunctionexecuteBound
(sourceFunc, boundFunc, context, callingContext, args)
docs/1.2.x/_static/underscore-1.13.1.js:985
↓ 2 callersFunctionf
()
docs/1.1.x/_static/underscore.js:6
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