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github.com/SINGROUP/dscribe
/ functions
Functions
2,448 in github.com/SINGROUP/dscribe
⨍
Functions
2,448
◇
Types & classes
31
↳
Endpoints
3
↓ 5 callers
Function
toPath
(path)
docs/1.2.x/_static/underscore-1.13.1.js:652
↓ 5 callers
Function
toPath$1
(path)
docs/1.1.x/_static/underscore-1.12.0.js:652
↓ 5 callers
Function
toType
( obj )
docs/0.4.x/_static/jquery-3.5.1.js:133
↓ 5 callers
Function
toType
( obj )
docs/1.0.x/_static/jquery-3.5.1.js:133
↓ 5 callers
Function
toType
( obj )
docs/0.3.x/_static/jquery-3.5.1.js:133
↓ 5 callers
Function
toType
( obj )
docs/1.1.x/_static/jquery-3.5.1.js:133
↓ 5 callers
Function
toType
( obj )
docs/1.2.x/_static/jquery-3.6.0.js:137
↓ 5 callers
Method
to_cartesian
Used to transform a set of relative positions to the cartesian basis defined by the cell of this system. Args: positions
dscribe/core/system.py:125
↓ 5 callers
Method
to_scaled
Used to transform a set of positions to the basis defined by the cell of this system. Args: positions (numpy.ndarray): Th
dscribe/core/system.py:102
↓ 5 callers
Method
validate_cell
Used to check that the given unit cell is valid. Args: cell(np.ndarray): 3x3 unit cell. pbc(np.ndarray): Cell periodi
dscribe/descriptors/descriptor.py:190
↓ 5 callers
Method
validate_pbc
Used to check that the given pbc cell is valid and return a normalized value. Args: pbc(np.ndarray): Cell periodicity as
dscribe/descriptors/descriptor.py:181
↓ 5 callers
Function
valle_oganov_default_k2
(**kwargs)
tests/test_valle_oganov.py:41
↓ 5 callers
Function
w
(e)
docs/2.1.x/_static/jquery.js:2
↓ 5 callers
Function
w
(e)
docs/1.2.x/_static/jquery.js:2
↓ 5 callers
Function
w
(e)
docs/2.0.x/_static/jquery.js:2
↓ 4 callers
Function
Ae
(e,i,o)
docs/0.4.x/_static/jquery.js:2
↓ 4 callers
Function
Ae
(e,i,o)
docs/1.0.x/_static/jquery.js:2
↓ 4 callers
Function
Ae
(e,i,o)
docs/0.3.x/_static/jquery.js:2
↓ 4 callers
Function
Ae
(e,i,o)
docs/1.1.x/_static/jquery.js:2
↓ 4 callers
Function
Ie
(e)
docs/0.4.x/_static/jquery.js:2
↓ 4 callers
Function
Ie
(e)
docs/1.0.x/_static/jquery.js:2
↓ 4 callers
Function
Ie
(e)
docs/0.3.x/_static/jquery.js:2
↓ 4 callers
Function
Ie
(e)
docs/1.1.x/_static/jquery.js:2
↓ 4 callers
Function
Re
(e)
docs/2.1.x/_static/jquery.js:2
↓ 4 callers
Function
Re
(e)
docs/1.2.x/_static/jquery.js:2
↓ 4 callers
Function
Re
(e)
docs/2.0.x/_static/jquery.js:2
↓ 4 callers
Function
Se
(e,i,o)
docs/2.1.x/_static/jquery.js:2
↓ 4 callers
Function
Se
(e,i,o)
docs/1.2.x/_static/jquery.js:2
↓ 4 callers
Function
Se
(e,i,o)
docs/2.0.x/_static/jquery.js:2
↓ 4 callers
Function
Sizzle
( selector, context, results, seed )
docs/0.4.x/_static/jquery-3.5.1.js:755
↓ 4 callers
Function
Sizzle
( selector, context, results, seed )
docs/1.0.x/_static/jquery-3.5.1.js:755
↓ 4 callers
Function
Sizzle
( selector, context, results, seed )
docs/0.3.x/_static/jquery-3.5.1.js:755
↓ 4 callers
Function
Sizzle
( selector, context, results, seed )
docs/1.1.x/_static/jquery-3.5.1.js:755
↓ 4 callers
Function
Sizzle
( selector, context, results, seed )
docs/1.2.x/_static/jquery-3.6.0.js:759
↓ 4 callers
Function
Sr
(n,r,t)
docs/1.2.x/_static/underscore.js:6
↓ 4 callers
Function
Te
(e,t,n,r,i)
docs/2.1.x/_static/jquery.js:2
↓ 4 callers
Function
Te
(e,t,n,r,i)
docs/0.4.x/_static/jquery.js:2
↓ 4 callers
Function
Te
(e,t,n,r,i)
docs/1.0.x/_static/jquery.js:2
↓ 4 callers
Function
Te
(e,t,n,r,i)
docs/0.3.x/_static/jquery.js:2
↓ 4 callers
Function
Te
(e,t,n,r,i)
docs/1.1.x/_static/jquery.js:2
↓ 4 callers
Function
Te
(e,t,n,r,i)
docs/1.2.x/_static/jquery.js:2
↓ 4 callers
Function
Te
(e,t,n,r,i)
docs/2.0.x/_static/jquery.js:2
↓ 4 callers
Function
_ready
(callback)
docs/2.0.x/_static/doctools.js:20
↓ 4 callers
Method
_reset_structure
Resets the common structural information that is cached by this object. The caching is done in order to share common structural quanti
dscribe/core/system.py:262
↓ 4 callers
Function
add
( key, valueOrFunction )
docs/0.4.x/_static/jquery-3.5.1.js:8928
↓ 4 callers
Function
add
( key, valueOrFunction )
docs/1.0.x/_static/jquery-3.5.1.js:8928
↓ 4 callers
Function
add
( key, valueOrFunction )
docs/0.3.x/_static/jquery-3.5.1.js:8928
↓ 4 callers
Function
add
( key, valueOrFunction )
docs/1.1.x/_static/jquery-3.5.1.js:8928
↓ 4 callers
Function
add
( key, valueOrFunction )
docs/1.2.x/_static/jquery-3.6.0.js:8937
↓ 4 callers
Function
addCombinator
( matcher, combinator, base )
docs/0.4.x/_static/jquery-3.5.1.js:2393
↓ 4 callers
Function
addCombinator
( matcher, combinator, base )
docs/1.0.x/_static/jquery-3.5.1.js:2393
↓ 4 callers
Function
addCombinator
( matcher, combinator, base )
docs/0.3.x/_static/jquery-3.5.1.js:2393
↓ 4 callers
Function
addCombinator
( matcher, combinator, base )
docs/1.1.x/_static/jquery-3.5.1.js:2393
↓ 4 callers
Function
addCombinator
( matcher, combinator, base )
docs/1.2.x/_static/jquery-3.6.0.js:2397
↓ 4 callers
Function
ae
(e,t)
docs/2.1.x/_static/jquery.js:2
↓ 4 callers
Function
ae
(e,t)
docs/0.4.x/_static/jquery.js:2
↓ 4 callers
Function
ae
(e,t)
docs/1.0.x/_static/jquery.js:2
↓ 4 callers
Function
ae
(e,t)
docs/0.3.x/_static/jquery.js:2
↓ 4 callers
Function
ae
(e,t)
docs/1.1.x/_static/jquery.js:2
↓ 4 callers
Function
ae
(e,t)
docs/1.2.x/_static/jquery.js:2
↓ 4 callers
Function
ae
(e,t)
docs/2.0.x/_static/jquery.js:2
↓ 4 callers
Function
assert_basis
Tests that the output vectors behave correctly as a basis.
tests/conftest.py:541
↓ 4 callers
Function
assert_dtype
Test that the requested data type is respected
tests/conftest.py:415
↓ 4 callers
Function
b
(a)
docs/0.4.x/_static/underscore.js:10
↓ 4 callers
Function
b
(a)
docs/1.0.x/_static/underscore.js:10
↓ 4 callers
Function
b
(a)
docs/0.3.x/_static/underscore.js:10
↓ 4 callers
Function
be
(s,e,t)
docs/2.1.x/_static/jquery.js:2
↓ 4 callers
Function
be
(s,e,t)
docs/0.4.x/_static/jquery.js:2
↓ 4 callers
Function
be
(s,e,t)
docs/1.0.x/_static/jquery.js:2
↓ 4 callers
Function
be
(s,e,t)
docs/0.3.x/_static/jquery.js:2
↓ 4 callers
Function
be
(s,e,t)
docs/1.1.x/_static/jquery.js:2
↓ 4 callers
Function
be
(s,e,t)
docs/1.2.x/_static/jquery.js:2
↓ 4 callers
Function
be
(s,e,t)
docs/2.0.x/_static/jquery.js:2
↓ 4 callers
Function
condense
( unmatched, map, filter, context, xml )
docs/0.4.x/_static/jquery-3.5.1.js:2483
↓ 4 callers
Function
condense
( unmatched, map, filter, context, xml )
docs/1.0.x/_static/jquery-3.5.1.js:2483
↓ 4 callers
Function
condense
( unmatched, map, filter, context, xml )
docs/0.3.x/_static/jquery-3.5.1.js:2483
↓ 4 callers
Function
condense
( unmatched, map, filter, context, xml )
docs/1.1.x/_static/jquery-3.5.1.js:2483
↓ 4 callers
Function
condense
( unmatched, map, filter, context, xml )
docs/1.2.x/_static/jquery-3.6.0.js:2487
↓ 4 callers
Function
createCache
* Create key-value caches of limited size * @returns {function(string, object)} Returns the Object data after storing it on itself with * property n
docs/0.4.x/_static/jquery-3.5.1.js:903
↓ 4 callers
Function
createCache
* Create key-value caches of limited size * @returns {function(string, object)} Returns the Object data after storing it on itself with * property n
docs/1.0.x/_static/jquery-3.5.1.js:903
↓ 4 callers
Function
createCache
* Create key-value caches of limited size * @returns {function(string, object)} Returns the Object data after storing it on itself with * property n
docs/0.3.x/_static/jquery-3.5.1.js:903
↓ 4 callers
Function
createCache
* Create key-value caches of limited size * @returns {function(string, object)} Returns the Object data after storing it on itself with * property n
docs/1.1.x/_static/jquery-3.5.1.js:903
↓ 4 callers
Function
createCache
* Create key-value caches of limited size * @returns {function(string, object)} Returns the Object data after storing it on itself with * property n
docs/1.2.x/_static/jquery-3.6.0.js:907
↓ 4 callers
Method
create_single
Return the many-body tensor representation for the given system. Args: system (:class:`ase.Atoms` | :class:`.System`): Input syst
dscribe/descriptors/mbtr.py:391
↓ 4 callers
Function
d
()
docs/2.1.x/_static/js/html5shiv-printshiv.min.js:4
↓ 4 callers
Function
d
()
docs/0.4.x/_static/js/html5shiv.min.js:4
↓ 4 callers
Function
d
(d,e)
docs/0.4.x/_static/js/modernizr.min.js:4
↓ 4 callers
Function
d
()
docs/0.4.x/_static/js/html5shiv-printshiv.min.js:4
↓ 4 callers
Function
d
()
docs/1.0.x/_static/js/html5shiv.min.js:4
↓ 4 callers
Function
d
(d,e)
docs/1.0.x/_static/js/modernizr.min.js:4
↓ 4 callers
Function
d
()
docs/1.0.x/_static/js/html5shiv-printshiv.min.js:4
↓ 4 callers
Function
d
()
docs/0.3.x/_static/js/html5shiv.min.js:4
↓ 4 callers
Function
d
(d,e)
docs/0.3.x/_static/js/modernizr.min.js:4
↓ 4 callers
Function
d
()
docs/0.3.x/_static/js/html5shiv-printshiv.min.js:4
↓ 4 callers
Function
d
(d,e)
docs/1.1.x/_static/js/modernizr.min.js:4
↓ 4 callers
Function
d
()
docs/1.1.x/_static/js/html5shiv-printshiv.min.js:4
↓ 4 callers
Function
d
()
docs/1.2.x/_static/js/html5shiv-printshiv.min.js:4
↓ 4 callers
Function
d
()
docs/2.0.x/_static/js/html5shiv-printshiv.min.js:4
↓ 4 callers
Function
f
(a)
docs/2.1.x/_static/js/html5shiv-printshiv.min.js:4
↓ 4 callers
Function
f
(a)
docs/0.4.x/_static/js/html5shiv-printshiv.min.js:4
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