MDIL-SNU/SIMPLE-NN

Issues

• potential for systems with different number of elements

  #116 opened 3 years ago by weilaigit
  3

• Error: No module named simple_nn

  #114 opened 3 years ago by trevitran
  1

• tf.assign function error

  #113 opened 3 years ago by trevitran
  1

• A bug in computing neighbors

  #92 opened 4 years ago by pulkin
  10

• License ?

  #106 opened 3 years ago by alvarovm
  2

• "Cannot convert a partially known TensorShape to a Tensor: %s" % s) ValueError: Cannot convert a partially known TensorShape to a Tensor: (?,)

  #105 opened 4 years ago by hitergelei
  0

• Different fingerprints for the same atom

  #101 opened 4 years ago by lmj1029123
  8

• LAMMPS segmentation fault error when using 5 elements

  #99 opened 4 years ago by weilaigit
  2

• Scaling taking long time

  #90 opened 4 years ago by vsumaria
  5

• No GPU usage in generate_NNP

  #98 opened 4 years ago by hmcezar
  1

• AttributeError: module 'platform' has no attribute 'linux_distribution'

  #97 opened 4 years ago by vsumaria
  1

• Generating G5 using Simple-NN

  #96 opened 4 years ago by tanooj-s
  0

• Generating symmetry function features for different atom types

  #95 opened 4 years ago by tanooj-s
  6

• params_XX file: type index of neighbor atoms determined by order of elements in input.yaml or alphabetical?

  #84 opened 4 years ago by EricMusa
  1

• Outdated dependencies

  #91 opened 4 years ago by pulkin
  1

• Reference data 'utf-8' codec error

  #83 opened 4 years ago by vsumaria
  1

• Use of E_loss and F_loss

  #89 opened 4 years ago by vsumaria
  1

• Memory Leak issue

  #86 opened 4 years ago by junwoony
  2

• _pickle.UnpicklingError: invalid load key, '\x00'.

  #85 opened 4 years ago by vsumaria
  5

• Example - params_Si

  #82 opened 4 years ago by vsumaria
  1

• Potential Test

  #76 opened 5 years ago by mgp220
  5

• ModuleNotFoundError: No module named 'simple_nn.utils._libgdf'

  #67 opened 5 years ago by AlexanderOnly
  0

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

  #71 opened 5 years ago by dkumarrav
  4

• ModuleNotFoundError: No module named 'simple_nn.utils._libgdf'

  #70 opened 5 years ago by dkumarrav
  2

• The example can not run normally

  #69 opened 5 years ago by apmtcc
  1

• Slightly Inaccurate Fingerprints?

  #68 opened 5 years ago by bencomer
  2

• can not install simple-nn with pip

  #66 opened 5 years ago by AlexanderOnly
  1

• TypeError: read_vasp_out() got an unexpected keyword argument 'force_consistent'

  #64 opened 5 years ago by sillycheng
  5

• Error: No module named 'simple_nn.utils._libgdf'

  #65 opened 5 years ago by vsumaria
  6

• Fingerprinting Seg Faults

  #60 opened 5 years ago by bencomer
  2