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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SiO2 bulk distorting during Molecular dynamics Simulation in LAMMPS using NNPs generated by SIMPLE-NN

#71 dkumarrav closed 4 years ago
4
ModuleNotFoundError: No module named 'simple_nn.utils._libgdf'

#70 dkumarrav closed 4 years ago
2
The example can not run normally

#69 apmtcc closed 5 years ago
1
Slightly Inaccurate Fingerprints?

#68 bencomer closed 5 years ago
2
ModuleNotFoundError: No module named 'simple_nn.utils._libgdf'

#67 AlexanderOnly closed 5 years ago
0
can not install simple-nn with pip

#66 AlexanderOnly closed 5 years ago
1
Error: No module named 'simple_nn.utils._libgdf'

#65 vsumaria closed 5 years ago
6
TypeError: read_vasp_out() got an unexpected keyword argument 'force_consistent'

#64 sillycheng closed 5 years ago
5
update docs

#63 Nanco-L closed 5 years ago
0
Version update to 0.9.0

#62 Nanco-L closed 5 years ago
0
Private/master

#61 Nanco-L closed 5 years ago
0
Fingerprinting Seg Faults

#60 bencomer closed 5 years ago
2
Fix a typo in default input

#59 will1792 closed 5 years ago
0
Rollback weight initializer change

#58 will1792 closed 5 years ago
0
minor change

#57 Nanco-L closed 5 years ago
0
Update docs

#56 Nanco-L closed 5 years ago
0
Add printing scaling information to log

#55 will1792 closed 5 years ago
0
Add lower limit to TensorFlow version

#54 will1792 closed 5 years ago
0
Refine examples & fix minor bug

#53 Nanco-L closed 5 years ago
0
update docs (190401)

#52 Nanco-L closed 5 years ago
0
Fix errors about atomic weights

#51 will1792 closed 5 years ago
0
Fix generating atomic weights for validation set

#50 will1792 closed 5 years ago
0
Change LOG formatting and print elapsed time

#49 will1792 closed 5 years ago
0
Add git hash to LOG

#48 will1792 closed 5 years ago
0
MPI fix

#47 will1792 closed 5 years ago
0
Change loss

#46 Nanco-L closed 5 years ago
0
Fix problem with name tensorflow/tensorflow-gpu

#45 will1792 closed 5 years ago
0
Compatability fix

#44 will1792 closed 5 years ago
0
Add restriction that zeta >= 1.0

#43 will1792 closed 5 years ago
0
add the function for ploting correlation graph

#42 Nanco-L closed 5 years ago
0
name of filename changed: ~_epochXX

#41 Nanco-L closed 5 years ago
0
Fix MPI-related bug

#40 will1792 closed 5 years ago
0
Dist vs ferror

#39 Nanco-L closed 5 years ago
0
Dist vs ferror

#38 Nanco-L closed 5 years ago
0
Update doc

#37 Nanco-L closed 5 years ago
0
Gdf renewal

#36 Nanco-L closed 5 years ago
0
Add 'just give me gdf' modifier that gives raw GDF

#35 will1792 closed 5 years ago
0
add early stop properties

#34 Nanco-L closed 5 years ago
0
Add new option `echeck`, `fcheck`, and `stddev`

#33 will1792 closed 6 years ago
0
Add warning unidentified options

#32 will1792 closed 6 years ago
0
Fix regularization loss

#31 will1792 closed 6 years ago
0
Add checking network size when continue == weights

#30 will1792 closed 6 years ago
0
Add wrapping atom positions before neighborlist

#29 will1792 closed 6 years ago
0
Warning

#28 will1792 closed 6 years ago
0
0.4.2 update: continue from weights

#27 Nanco-L closed 6 years ago
0
Cache test

#26 Nanco-L closed 6 years ago
0
L-BFGS implement

#25 Nanco-L closed 6 years ago
0
make function for calculating loss value (total/per type) and fix the problem for full_batch mode

#24 Nanco-L closed 6 years ago
0
Bug fixes and small changes

#23 will1792 closed 6 years ago
0
Add backward compatibility to tfrecord file

#22 will1792 closed 6 years ago
0

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