BingqingCheng/ASAP

Issues

• ValueError: Expected 2D array, got 1D array instead:

  #62 opened 5 months ago by BianTieyuan
  30

• TypeError: __init__() got an unexpected keyword argument 'rcut'

  #61 opened a year ago by sumanbhasker89
  2

• broken "-ua" option

  #60 opened 2 years ago by gabor1
  5

• python package

  #11 opened 5 years ago by gabor1
  13

• reproduce example from documentation

  #59 opened 4 years ago by lydiash
  1

• KPCA: projection of arbitrary vector after kpca is done

  #15 opened 4 years ago by stenczelt
  5

• document --reducer-type in asap command line

  #55 opened 4 years ago by bernstei
  1

• no apparent way to control SOAP hypers in asap command, and defaults aren't great

  #36 opened 4 years ago by bernstei
  8

• Tsne has no transform

  #22 opened 4 years ago by BingqingCheng
  9

• DScribe now supports coherent averaging

  #45 opened 4 years ago by gabor1
  3

• parallelise descriptor computation.

  #39 opened 4 years ago by zhubonan
  3

• show progress bar

  #38 opened 4 years ago by zhubonan
  1

• compute_atomic_descriptors fails when sbs isn't passed in

  #57 opened 4 years ago by bernstei
  2

• no way to access atomic descriptors

  #58 opened 4 years ago by bernstei
  4

• Problems with installing ASAP

  #54 opened 4 years ago by gelzinyte
  6

• documentation of python interface

  #51 opened 4 years ago by bernstei
  4

• multiple maps with the same PCA vectors

  #52 opened 4 years ago by bernstei
  2

• clingo not available on CentOS 7 or OS X

  #50 opened 4 years ago by bernstei
  2

• pca.py defaults

  #25 opened 4 years ago by Ryan-Rhys
  0

• How do I add new dependencies to the continuous integration build?

  #35 opened 4 years ago by Ryan-Rhys
  3

• Broken Examples

  #8 opened 5 years ago by Ryan-Rhys
  6

• consider using `click` to streamline the cli

  #27 opened 5 years ago by zhubonan
  0

• clustering.py doesn't work

  #23 opened 5 years ago by BingqingCheng
  3

• centring in KPCA

  #14 opened 5 years ago by stenczelt
  1

• Broken Examples

  #7 opened 5 years ago by Ryan-Rhys
  1