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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
↓ 1 callers
Function
setPositiveNumber
( _elem, value, subtract )
docs/0.3.x/_static/jquery-3.5.1.js:6690
↓ 1 callers
Function
setPositiveNumber
( _elem, value, subtract )
docs/1.1.x/_static/jquery-3.5.1.js:6690
↓ 1 callers
Function
setPositiveNumber
( _elem, value, subtract )
docs/1.2.x/_static/jquery-3.6.0.js:6695
↓ 1 callers
Method
set_scaled_positions
(self, scaled)
dscribe/core/system.py:250
↓ 1 callers
Function
soapGeneral
dscribe/ext/soapGeneral.cpp:1865
↓ 1 callers
Method
sort_randomly
Given a coulomb matrix, it adds random noise to the sorting defined by sigma. For sorting, L2-norm is used. Args:
dscribe/descriptors/descriptormatrix.py:208
↓ 1 callers
Function
sortedIndex
(array, obj, iteratee, context)
docs/1.1.x/_static/underscore-1.12.0.js:1247
↓ 1 callers
Function
sortedIndex
(array, obj, iteratee, context)
docs/1.2.x/_static/underscore-1.13.1.js:1262
↓ 1 callers
Function
splitQuery
(query)
docs/0.4.x/_static/searchtools.js:47
↓ 1 callers
Function
splitQuery
(query)
docs/1.0.x/_static/searchtools.js:47
↓ 1 callers
Function
splitQuery
(query)
docs/0.3.x/_static/searchtools.js:47
↓ 1 callers
Function
splitQuery
(query)
docs/1.1.x/_static/searchtools.js:47
↓ 1 callers
Function
st
()
docs/0.4.x/_static/jquery.js:2
↓ 1 callers
Function
st
()
docs/1.0.x/_static/jquery.js:2
↓ 1 callers
Function
st
()
docs/0.3.x/_static/jquery.js:2
↓ 1 callers
Function
st
()
docs/1.1.x/_static/jquery.js:2
↓ 1 callers
Function
step
(indices)
examples/forces_and_energies/training_tensorflow.py:150
↓ 1 callers
Function
system_stats
Args: system_stats(iterable containing ASE.Atoms or System): The atomic systems for which to gather statistics. Returns:
dscribe/utils/stats.py:22
↓ 1 callers
Function
toggler
(el)
docs/2.1.x/_static/doctools.js:85
↓ 1 callers
Function
toggler
(el)
docs/1.2.x/_static/doctools.js:185
↓ 1 callers
Function
toggler
(el)
docs/2.0.x/_static/doctools.js:85
↓ 1 callers
Function
train_model
(perm, best_valid_loss, old_valid_loss, i_worse)
examples/forces_and_energies/training_tensorflow.py:157
↓ 1 callers
Function
uniq
(array, isSorted, iteratee, context)
docs/1.1.x/_static/underscore-1.12.0.js:1707
↓ 1 callers
Function
uniq
(array, isSorted, iteratee, context)
docs/1.2.x/_static/underscore-1.13.1.js:1722
↓ 1 callers
Function
using_clang
Will we be using a clang compiler?
setup.py:14
↓ 1 callers
Function
ut
(e,t,n)
docs/2.1.x/_static/jquery.js:2
↓ 1 callers
Function
ut
(e,t,n)
docs/1.2.x/_static/jquery.js:2
↓ 1 callers
Function
ut
(e,t,n)
docs/2.0.x/_static/jquery.js:2
↓ 1 callers
Method
validate_derivatives_method
Used to validate and determine the final method for calculating the derivatives.
dscribe/descriptors/descriptorlocal.py:28
↓ 1 callers
Method
validate_derivatives_method
Used to validate and determine the final method for calculating the derivatives.
dscribe/descriptors/mbtr.py:888
↓ 1 callers
Function
vendorPropName
( name )
docs/0.4.x/_static/jquery-3.5.1.js:6649
↓ 1 callers
Function
vendorPropName
( name )
docs/1.0.x/_static/jquery-3.5.1.js:6649
↓ 1 callers
Function
vendorPropName
( name )
docs/0.3.x/_static/jquery-3.5.1.js:6649
↓ 1 callers
Function
vendorPropName
( name )
docs/1.1.x/_static/jquery-3.5.1.js:6649
↓ 1 callers
Function
vendorPropName
( name )
docs/1.2.x/_static/jquery-3.6.0.js:6654
↓ 1 callers
Function
w
(n)
docs/1.1.x/_static/underscore.js:6
↓ 1 callers
Function
w
(n)
docs/1.2.x/_static/underscore.js:6
↓ 1 callers
Function
weightExp
* Exponential weighting of the form: * w(r) = c / (d + e^(-r/r0)) */
dscribe/ext/weighting.h:34
↓ 1 callers
Function
weightPoly
* Polynomial weighting of the form: * w(r) = c * (1 + 2(r/r0)^3 - 3(r/r0)^2)^m, if r <= r0, 0 otherwise */
dscribe/ext/weighting.h:11
↓ 1 callers
Function
weightPow
* Power function weighting of the form: * w(r) = c / (d + (r/r0)^m) */
dscribe/ext/weighting.h:25
↓ 1 callers
Function
wn
(n)
docs/1.1.x/_static/underscore.js:6
↓ 1 callers
Function
wn
(n)
docs/1.2.x/_static/underscore.js:6
↓ 1 callers
Function
z
(b)
docs/1.0.x/_static/js/modernizr.min.js:4
↓ 1 callers
Function
z
(b)
docs/1.1.x/_static/js/modernizr.min.js:4
↓ 1 callers
Method
zero_pad
Zero-pads the given matrix. Args: array (np.ndarray): The array to pad Returns: np.ndarray: The zero-padded
dscribe/descriptors/descriptormatrix.py:180
↓ 1 callers
Function
zr
(n,r,t)
docs/1.2.x/_static/underscore.js:6
Function
$
(n)
docs/1.2.x/_static/underscore.js:6
Method
ACSF
dscribe/ext/acsf.cpp:16
Function
B
()
docs/2.1.x/_static/jquery.js:2
Function
B
()
docs/1.2.x/_static/jquery.js:2
Function
B
()
docs/2.0.x/_static/jquery.js:2
Function
Bn
(n)
docs/1.1.x/_static/underscore.js:6
Function
Bn
(n)
docs/1.2.x/_static/underscore.js:6
Function
Data
()
docs/0.4.x/_static/jquery-3.5.1.js:4232
Function
Data
()
docs/1.0.x/_static/jquery-3.5.1.js:4232
Function
Data
()
docs/0.3.x/_static/jquery-3.5.1.js:4232
Function
Data
()
docs/1.1.x/_static/jquery-3.5.1.js:4232
Function
Data
()
docs/1.2.x/_static/jquery-3.6.0.js:4236
Function
De
(e)
docs/2.1.x/_static/jquery.js:2
Function
De
(e)
docs/1.2.x/_static/jquery.js:2
Function
De
(e)
docs/2.0.x/_static/jquery.js:2
Method
Descriptor
dscribe/ext/descriptor.cpp:21
Method
DescriptorGlobal
dscribe/ext/descriptorglobal.cpp:24
Method
DescriptorLocal
dscribe/ext/descriptorlocal.cpp:25
Function
F
()
docs/0.4.x/_static/underscore.js:21
Function
F
()
docs/1.0.x/_static/underscore.js:21
Function
F
()
docs/0.3.x/_static/underscore.js:21
Function
G
()
docs/2.1.x/_static/jquery.js:2
Function
G
()
docs/0.4.x/_static/jquery.js:2
Function
G
()
docs/1.0.x/_static/jquery.js:2
Function
G
()
docs/0.3.x/_static/jquery.js:2
Function
G
()
docs/2.0.x/_static/jquery.js:2
Function
Gr
(n)
docs/1.1.x/_static/underscore.js:6
Function
He
(e)
docs/0.4.x/_static/jquery.js:2
Function
He
(e)
docs/1.0.x/_static/jquery.js:2
Function
He
(e)
docs/0.3.x/_static/jquery.js:2
Function
He
(e)
docs/1.1.x/_static/jquery.js:2
Function
Hr
(n)
docs/1.2.x/_static/underscore.js:6
Function
Identity
( v )
docs/0.4.x/_static/jquery-3.5.1.js:3648
Function
Identity
( v )
docs/1.0.x/_static/jquery-3.5.1.js:3648
Function
Identity
( v )
docs/0.3.x/_static/jquery-3.5.1.js:3648
Function
Identity
( v )
docs/1.1.x/_static/jquery-3.5.1.js:3648
Function
Identity
( v )
docs/1.2.x/_static/jquery-3.6.0.js:3652
Function
Ke
(e,t,n,r,i)
docs/2.1.x/_static/jquery.js:2
Function
Ke
(e,t,n,r,i)
docs/1.2.x/_static/jquery.js:2
Function
Ke
(e,t,n,r,i)
docs/2.0.x/_static/jquery.js:2
Function
Le
(e)
docs/0.4.x/_static/jquery.js:2
Function
Le
(e)
docs/1.0.x/_static/jquery.js:2
Function
Le
(e)
docs/0.3.x/_static/jquery.js:2
Function
Le
(e)
docs/1.1.x/_static/jquery.js:2
Function
Lr
(n,r,t)
docs/1.2.x/_static/underscore.js:6
Function
M
(e)
docs/2.1.x/_static/jquery.js:2
Function
M
(e)
docs/0.4.x/_static/jquery.js:2
Function
M
(e)
docs/1.0.x/_static/jquery.js:2
Function
M
(e)
docs/0.3.x/_static/jquery.js:2
Function
M
(e)
docs/1.1.x/_static/jquery.js:2
Function
M
(e)
docs/1.2.x/_static/jquery.js:2
Function
M
(e)
docs/2.0.x/_static/jquery.js:2
Method
MBTR
dscribe/ext/mbtr.cpp:5
Function
Mr
(n,r,t)
docs/1.2.x/_static/underscore.js:6
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