Search results

Github and PyPi versions out of sync

Status: Open.

#141 In ADicksonLab/wepy;

· alexrd opened on Sep 3, 2025

Reading weights from the HDF5 is slow

bug

enhancement

Status: Open.

#123 In ADicksonLab/wepy;

· alexrd opened on Nov 27, 2023

·  

Proper 1.2 version

Support multiple progress fields in BCDashboardSection

Status: Open.

#122 In ADicksonLab/wepy;

· salotz opened on Nov 21, 2023

Mechanism to calculate ensemble based progress

Status: Open.

#121 In ADicksonLab/wepy;

· salotz opened on Nov 21, 2023

Default BoundaryCondition DISCONTINUITY_TARGET_IDXS

enhancement

Status: Open.

#120 In ADicksonLab/wepy;

· salotz opened on Nov 21, 2023

Refactor and consistent handling of OpenMMState fields

Status: Open.

#117 In ADicksonLab/wepy;

· salotz opened on Nov 8, 2023

Try to detect dynamics errors post-segment

enhancement

Status: Open.

#116 In ADicksonLab/wepy;

· salotz opened on Oct 27, 2023

Errorless cleanup of un-initialized HDF5 files

bug

enhancement

Status: Open.

#115 In ADicksonLab/wepy;

· salotz opened on Oct 24, 2023

·  

Proper 1.2 version

Runtime error in WepyHDF5

Status: Open.

#112 In ADicksonLab/wepy;

· SamikBose opened on Oct 20, 2023

Handle saving of OpenMM IntegratorParameters State data type

enhancement

Status: Open.

#104 In ADicksonLab/wepy;

· salotz opened on Oct 14, 2023

Proper error handling for missing OpenMM state variables

bug

Status: Open.

#102 In ADicksonLab/wepy;

· salotz opened on Oct 14, 2023

Change simtk.unit to openmm.unit

enhancement

Status: Open.

#100 In ADicksonLab/wepy;

· salotz opened on Oct 13, 2023