MDIL-SNU SIMPLE-NN issues

MDIL-SNU / SIMPLE-NN

SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)

GNU General Public License v3.0

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issues

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Update docs

#121 JisuJung928 closed 2 years ago
0
Update docs

#120 JisuJung928 closed 2 years ago
0
New version notification

#119 JisuJung928 closed 2 years ago
0
Fix setup.py

#118 JisuJung928 closed 3 years ago
0
Logo and docs

#117 JisuJung928 closed 3 years ago
0
potential for systems with different number of elements

#116 weilaigit closed 3 years ago
3
remove unused function

#115 JisuJung928 closed 3 years ago
0
Error: No module named simple_nn

#114 trevitran opened 3 years ago
1
tf.assign function error

#113 trevitran closed 3 years ago
1
fix memory leakage

#112 JisuJung928 closed 3 years ago
0
memory leak & uninitialized variable

#111 JisuJung928 closed 3 years ago
0
update replica3

#110 JisuJung928 closed 3 years ago
0
update replica2

#109 JisuJung928 closed 3 years ago
0
update replica

#108 JisuJung928 closed 3 years ago
0
count_words update

#107 JisuJung928 closed 3 years ago
0
License ?

#106 alvarovm closed 3 years ago
2
"Cannot convert a partially known TensorShape to a Tensor: %s" % s) ValueError: Cannot convert a partially known TensorShape to a Tensor: (?,)

#105 hitergelei closed 3 years ago
0
separate process

#104 JisuJung928 closed 3 years ago
0
position consistenty

#103 JisuJung928 closed 3 years ago
0
ase version

#102 JisuJung928 closed 3 years ago
0
Different fingerprints for the same atom

#101 lmj1029123 closed 3 years ago
8
memory issue & minor bug

#100 JisuJung928 closed 3 years ago
0
LAMMPS segmentation fault error when using 5 elements

#99 weilaigit closed 3 years ago
2
No GPU usage in generate_NNP

#98 hmcezar opened 3 years ago
1
AttributeError: module 'platform' has no attribute 'linux_distribution'

#97 vsumaria opened 3 years ago
1
Generating G5 using Simple-NN

#96 tanooj-s closed 3 years ago
0
Generating symmetry function features for different atom types

#95 tanooj-s closed 4 years ago
6
fix replica error

#94 JisuJung928 closed 4 years ago
0
lammps version

#93 JisuJung928 closed 4 years ago
0
A bug in computing neighbors

#92 pulkin opened 4 years ago
10
Outdated dependencies

#91 pulkin closed 4 years ago
1
Scaling taking long time

#90 vsumaria closed 3 years ago
5
Use of E_loss and F_loss

#89 vsumaria closed 4 years ago
1
fix memory leak 2

#88 JisuJung928 closed 4 years ago
0
memory fix & scaling

#87 JisuJung928 closed 4 years ago
0
Memory Leak issue

#86 junwoony closed 4 years ago
2
_pickle.UnpicklingError: invalid load key, '\x00'.

#85 vsumaria closed 4 years ago
5
params_XX file: type index of neighbor atoms determined by order of elements in input.yaml or alphabetical?

#84 EricMusa closed 4 years ago
1
Reference data 'utf-8' codec error

#83 vsumaria closed 4 years ago
1
Example - params_Si

#82 vsumaria closed 4 years ago
1
readthedocs

#81 JisuJung928 closed 4 years ago
0
v20.2

#80 JisuJung928 closed 4 years ago
0
LAMMPS element bug fix

#79 JisuJung928 closed 4 years ago
0
For ase>=3.18 & pickle wo OUTCAR

#78 JisuJung928 closed 4 years ago
4
lammps and multi-component stress bug fix

#77 JisuJung928 closed 4 years ago
0
Potential Test

#76 mgp220 closed 4 years ago
5
docs fix complete

#75 JisuJung928 closed 4 years ago
0
module version

#74 JisuJung928 closed 4 years ago
0
Manual fix

#73 JisuJung928 closed 4 years ago
0
v.20.1

#72 JisuJung928 closed 4 years ago
0