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Engine initialization fails when restarting from storage with OpenMM 8.1+

Status: Open.

#1177 In openpathsampling/openpathsampling;

· Bernadette-Mohr opened on Feb 16, 2026

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

Status: Open.

#1171 In openpathsampling/openpathsampling;

· Bernadette-Mohr opened on Jan 3, 2025

RETIS evaluation fails with the new storage files

Status: Open.

#1168 In openpathsampling/openpathsampling;

· gyorgy-hantal opened on Nov 28, 2024

Incorrect Path Tree Plot

Status: Open.

#1166 In openpathsampling/openpathsampling;

· SesswireD opened on Nov 6, 2024

MDTrajFunctionCV implicit trajectory conversion fails

Status: Open.

#1143 In openpathsampling/openpathsampling;

· Bernadette-Mohr opened on Feb 14, 2024

OPS cannot access stored OP values in database during RETIS analysis

Status: Open.

#1135 In openpathsampling/openpathsampling;

· gyorgy-hantal opened on Oct 3, 2023

SimStore data loss after crash

Status: Open.

#1131 In openpathsampling/openpathsampling;

· Bernadette-Mohr opened on Aug 8, 2023

Unpin numpy when possible

Status: Open.

#1127 In openpathsampling/openpathsampling;

· dwhswenson opened on Dec 26, 2022

TPS accepts non-transitions paths too

Status: Open.

#1124 In openpathsampling/openpathsampling;

· gyorgy-hantal opened on Dec 5, 2022

Questions about running TPS+U simulation in OPS framework

Status: Open.

#1121 In openpathsampling/openpathsampling;

· smlee99 opened on Sep 16, 2022

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

Status: Open.

#1117 In openpathsampling/openpathsampling;

· skhabib388 opened on Aug 8, 2022

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

Status: Open.

#1115 In openpathsampling/openpathsampling;

· WenHuiShen-Bio opened on Jul 21, 2022