Issues

• Incompatible with Numpy 1.24.1

  MDAnalysis/pmda#159 · Filter by author GregorySchwing opened on Jan 11, 2023

• Pip and conda distributions don't have H-Bond Analysis

  MDAnalysis/pmda#158 · Filter by author GregorySchwing opened on Jan 11, 2023

• Uniform analysis results with MDA

  enhancement
  MDAnalysis/pmda#156 · Filter by author RMeli opened on Feb 20, 2022
  1

• pmda.density not compatible to MDA 2.0.0

  enhancement
  MDAnalysis/pmda#154 · Filter by author appassionate opened on Dec 4, 2021
  1

• test if PMDA runs on Windows

  MDAnalysis/pmda#153 · Filter by author orbeckst opened on Oct 29, 2021
  1

• drop Python 2.7 support

  MDAnalysis/pmda#152 · Filter by author orbeckst opened on Oct 21, 2021 · 0.4
  5

• test compatibility with MDAnalysis 2.0.0

  MDAnalysis/pmda#148 · Filter by author orbeckst opened on Sep 22, 2021 · 0.5

• Error when running AnalysisFromFunction() on more processes than frames

  bug
  MDAnalysis/pmda#147 · Filter by author luponzo86 opened on Dec 22, 2020
  3

• MAINT: Switch from Travis to Github actions as CI provider

  continuous integration
  MDAnalysis/pmda#146 · Filter by author IAlibay opened on Dec 2, 2020 · 0.4
  1

• Bad Performance of Parallelization with On-the-fly Transformation

  MDAnalysis/pmda#144 · Filter by author yuxuanzhuang opened on Sep 18, 2020
  10

• Turn ParallelAnalysisBase into dask custom collection

  MDAnalysis/pmda#135 · Filter by author yuxuanzhuang opened on Aug 17, 2020
  3

• Parallelize select_atoms by coordinates

  bughelp wanted
  MDAnalysis/pmda#134 · Filter by author cecilpert opened on Aug 4, 2020
  7

• use serializable Universe

  MDAnalysis/pmda#133 · Filter by author orbeckst opened on Jul 15, 2020 · 0.5
  1

  

• Unifying _single_frame() of AnalysisBase and ParallelAnalysisBase

  MDAnalysis/pmda#131 · Filter by author yuxuanzhuang opened on Jul 11, 2020
  5

• cdf function in rdf.InterRDF_s does not give cummulative distribution function

  bug
  MDAnalysis/pmda#130 · Filter by author VOD555 opened on Jul 11, 2020 · 0.4
  1

  

• Issue with AnalysisFromFunction() when reading Amber .nc trajectory files

  bug
  MDAnalysis/pmda#119 · Filter by author luponzo86 opened on Jun 2, 2020 · 0.5
  3

• hydrogenbond analysis should check for missing bonds in the same way as the serial code

  MDAnalysis/pmda#118 · Filter by author orbeckst opened on Mar 9, 2020 · 0.4
  

• release 0.4

  MDAnalysis/pmda#116 · Filter by author orbeckst opened on Jan 21, 2020 · 0.4
  7

• distributed.client error with atomgroup or universe type self attribute

  MDAnalysis/pmda#79 · Filter by author VOD555 opened on Nov 1, 2018
  1

• LeafletFinder issues

  bug
  MDAnalysis/pmda#76 · Filter by author orbeckst opened on Oct 30, 2018
  10

  

• Extend Parallel Leaflet Finder to take Periodic Boundary Conditions into account

  MDAnalysis/pmda#72 · Filter by author iparask opened on Oct 11, 2018
  

• Use future API to support parallel AlignTraj

  enhancement
  MDAnalysis/pmda#68 · Filter by author kain88-de opened on Sep 21, 2018

• Explore Dask MPI interface

  enhancement
  MDAnalysis/pmda#67 · Filter by author kain88-de opened on Sep 21, 2018

• Allow different parallelization schemes/frameworks

  enhancement
  MDAnalysis/pmda#56 · Filter by author kain88-de opened on Sep 7, 2018
  1

• parallel dihedral featurizer

  enhancementhelp wanted
  MDAnalysis/pmda#45 · Filter by author orbeckst opened on Jun 19, 2018