Issues

• Engine initialization fails when restarting from storage with OpenMM 8.1+

  openpathsampling/openpathsampling#1177 · Filter by author Bernadette-Mohr opened on Feb 16, 2026
  2

• Significant difference in pickle file sizes containing CV trajectories, depending on source of CV functions

  openpathsampling/openpathsampling#1171 · Filter by author Bernadette-Mohr opened on Jan 3, 2025
  1

• RETIS evaluation fails with the new storage files

  openpathsampling/openpathsampling#1168 · Filter by author gyorgy-hantal opened on Nov 28, 2024

• Incorrect Path Tree Plot

  openpathsampling/openpathsampling#1166 · Filter by author SesswireD opened on Nov 6, 2024
  1

• MDTrajFunctionCV implicit trajectory conversion fails

  openpathsampling/openpathsampling#1143 · Filter by author Bernadette-Mohr opened on Feb 14, 2024

• OPS cannot access stored OP values in database during RETIS analysis

  openpathsampling/openpathsampling#1135 · Filter by author gyorgy-hantal opened on Oct 3, 2023
  3

• SimStore data loss after crash

  openpathsampling/openpathsampling#1131 · Filter by author Bernadette-Mohr opened on Aug 8, 2023
  7

• Unpin numpy when possible

  openpathsampling/openpathsampling#1127 · Filter by author dwhswenson opened on Dec 26, 2022

• TPS accepts non-transitions paths too

  openpathsampling/openpathsampling#1124 · Filter by author gyorgy-hantal opened on Dec 5, 2022

• Questions about running TPS+U simulation in OPS framework

  openpathsampling/openpathsampling#1121 · Filter by author smlee99 opened on Sep 16, 2022
  2

• Upon doing Alanine Dipeptide tutorial given on openpathsampling website, I have faced a error in the CommittorSimulation

  openpathsampling/openpathsampling#1117 · Filter by author skhabib388 opened on Aug 8, 2022
  6

• run_until_decorrelated();TypeError: iteration over a 0-d array

  openpathsampling/openpathsampling#1115 · Filter by author WenHuiShen-Bio opened on Jul 21, 2022
  22

• Setting up TPS calculations starting from transition paths generated by TIS fails

  openpathsampling/openpathsampling#1111 · Filter by author gyorgy-hantal opened on Apr 21, 2022
  6

• Experimental Storage fails at reloading

  openpathsampling/openpathsampling#1108 · Filter by author gianmarcolazzeri opened on Mar 22, 2022
  3

• accessing the website via https instead of http times out (also the main website from FF private window)

  openpathsampling/openpathsampling#1104 · Filter by author sroet opened on Jan 31, 2022
  1

• Continuing a Path Sampling Simulation with GROMACS

  openpathsampling/openpathsampling#1101 · Filter by author jakob-steuer opened on Jan 27, 2022
  7

• Trajectories should be deque, not lists (while generating)

  openpathsampling/openpathsampling#1099 · Filter by author sroet opened on Jan 17, 2022
  3

• The store cannot hold snapshots of the given type

  openpathsampling/openpathsampling#1098 · Filter by author KeweiZhao opened on Jan 16, 2022
  1

• Python 3.10 checklist

  openpathsampling/openpathsampling#1095 · Filter by author dwhswenson opened on Dec 14, 2021

• Hashing, Equality, and UUIDs in OPS 2.0

  2.0discussion
  openpathsampling/openpathsampling#1080 · Filter by author dwhswenson opened on Oct 6, 2021
  2

• Nightly tests / release workflows failing on forks

  openpathsampling/openpathsampling#1061 · Filter by author bdice opened on Aug 28, 2021
  1

• Adding support for HOOMD-blue simulation engine

  openpathsampling/openpathsampling#1055 · Filter by author bdice opened on Aug 24, 2021
  3

• API 2.0: Improve parameters in existing code

  2.0
  openpathsampling/openpathsampling#1049 · Filter by author dwhswenson opened on Aug 16, 2021
  4

• Moving in dihedral space

  openpathsampling/openpathsampling#1040 · Filter by author samarjeet opened on Jul 28, 2021
  4

• Center-of-mass snapshot velocity modifiers

  good first issue
  openpathsampling/openpathsampling#1028 · Filter by author dwhswenson opened on Jun 4, 2021