qmlcode/qml

Issues

• Incompatibiliy numpy & get_slatm_mbtypes

  #151 opened 3 months ago by Mi-chael
  1

• handling topology only molecules [feature request]

  #150 opened 6 months ago by UnixJunkie
  0

• ModuleNotFoundError: No module named 'numpy'

  #149 opened 6 months ago by UnixJunkie
  3

• Installation broken in fresh virtual environments

  #145 opened a year ago by EdmundGoodman
  3

• wheel problem

  #148 opened 9 months ago by zhuolian111
  1

• Segmentation fault for test_krr_bob on macOS

  #119 opened a year ago by RMeli
  2

• Unable to install.

  #143 opened 2 years ago by RokeJulianLockhart
  0

• NameError: name 'Compound' is not defined

  #142 opened 2 years ago by zhaohui-accept
  0

• QML on Apple silicon

  #141 opened 3 years ago by viniavila
  0

• import error

  #140 opened 3 years ago by hacret
  0

• BoB seg faulting on MacOS

  #138 opened 4 years ago by owencqueen
  1

• Installation fails on Windows systems with the error: invalid numeric argument '/Wno-maybe-uninitialized'

  #139 opened 3 years ago by RAraghavarora
  0

• Space in -pthread arguments fails compilation

  #124 opened 5 years ago by guimaluf
  4

• Anaconda deployment

  #52 opened 6 years ago by larsbratholm
  5

• BoB generation

  #136 opened 4 years ago by TDLemonNovecento
  0

• Time taken to import qml modules

  #135 opened 4 years ago by puckvg
  1

• Installation with Intel compiler fails

  #134 opened 4 years ago by ff781
  1

• Problems with installation

  #133 opened 4 years ago by Echo2Lee
  7

• FHCL19 for periodic systems?

  #132 opened 4 years ago by sirmarcel
  2

• QML install error, MKLROOT not set?

  #131 opened 4 years ago by BRS4511
  2

• pip3 install qml error

  #128 opened 4 years ago by graggi
  2

• Some basic functionality for the Compound class

  #125 opened 5 years ago by puckvg
  2

• Any documents about the use of FCHL19?

  #116 opened 5 years ago by lixinyuu
  3

• Issue when giving integer values to fchl kernel functions

  #110 opened 6 years ago by larsbratholm
  0

• FCHL example uses old notation

  #109 opened 6 years ago by larsbratholm
  0

• Remove Dataprovider from data/ remove ASE dependency

  #106 opened 6 years ago by andersx
  3

• Error in test_armp.py//test_predict_fromxyz()

  #102 opened 6 years ago by andersx
  1

• FCHL python/fortran interface bug

  #86 opened 6 years ago by larsbratholm
  2

• OpenMP problem in acsf generation with gradients

  #90 opened 6 years ago by SilviaAmAm
  0

• Dataset downloaders

  #97 opened 6 years ago by eickenberg
  1

• Documentation missing in FCHL

  #87 opened 6 years ago by larsbratholm
  1

• Possible race condition in symmetric global kernel

  #84 opened 6 years ago by andersx
  1

• Update docs to restructure

  #53 opened 6 years ago by larsbratholm
  0

• Change examples/tutorials to jupyter notebooks

  #55 opened 6 years ago by larsbratholm
  1

• Look into using dask for distributed computations

  #80 opened 6 years ago by larsbratholm
  0

• move qml.ml.* python modules to qml.*

  #68 opened 6 years ago by andersx
  2

• UnicodeDecodeError from setup.py

  #73 opened 6 years ago by mikstr
  6

• Compiler warnings

  #58 opened 6 years ago by andersx
  2

• Include compiler and link information in help

  #70 opened 6 years ago by charnley
  0

• Remove all of Anders' stale branches

  #51 opened 6 years ago by andersx
  3

• Add examples/documentation for Aglaia module

  #61 opened 6 years ago by andersx
  0

• Add license information to all files, re-update author list

  #62 opened 6 years ago by andersx
  0

• Add OSX to travis build

  #57 opened 6 years ago by larsbratholm
  0

• Remove most of qml7 xyz files

  #63 opened 6 years ago by larsbratholm
  1

• Verbose options for output

  #59 opened 6 years ago by andersx
  0

• Merge in qmlcode/tutorials notebooks

  #54 opened 6 years ago by larsbratholm
  1

• Create notebook from the ./examples

  #56 opened 6 years ago by larsbratholm
  0

• i having a very hard time installing qml. compiler issue?

  #49 opened 7 years ago by bogedy
  1

• Doc issue (Mac Fortran support)

  #25 opened 7 years ago by ghutchis
  2

• Problem with installing QML on MAC

  #32 opened 7 years ago by yghadar
  16