GitHub / openpathsampling/openpathsampling issues and pull requests
#1070 - [TODO] Unpin GitPython
Issue -
State: closed - Opened by dwhswenson almost 4 years ago
- 1 comment
#1069 - Temporary pin for GitPython
Pull Request -
State: closed - Opened by dwhswenson almost 4 years ago
- 3 comments
#1068 - New analysis testing utilities
Pull Request -
State: closed - Opened by dwhswenson almost 4 years ago
- 5 comments
Labels: enhancement
#1067 - Does OPS officially support pypi?
Issue -
State: closed - Opened by sroet almost 4 years ago
- 1 comment
#1066 - Clear old ExternalMDSnapshots during `iter_generate`
Pull Request -
State: closed - Opened by dwhswenson almost 4 years ago
- 4 comments
Labels: enhancement
#1065 - improvements to unpatch after using SimStore
Pull Request -
State: closed - Opened by dwhswenson almost 4 years ago
- 1 comment
Labels: misc PR, experimental
#1064 - Add CITATIONS.md
Pull Request -
State: closed - Opened by sroet almost 4 years ago
- 5 comments
Labels: misc PR
#1063 - Add citation to the repo
Issue -
State: closed - Opened by sroet almost 4 years ago
#1062 - Limit nightly CI and release/deployment CI to the base repository (not forks).
Pull Request -
State: closed - Opened by bdice almost 4 years ago
- 4 comments
#1061 - Nightly tests / release workflows failing on forks
Issue -
State: open - Opened by bdice almost 4 years ago
- 1 comment
#1060 - [WIP] Add HOOMD Engine
Pull Request -
State: closed - Opened by bdice almost 4 years ago
- 2 comments
Labels: feature
#1059 - [WIP] New "snapshot features" implementation
Pull Request -
State: open - Opened by dwhswenson almost 4 years ago
- 6 comments
Labels: 2.0
#1058 - Remove engine binary after tests
Pull Request -
State: closed - Opened by sroet almost 4 years ago
- 1 comment
Labels: misc PR
#1057 - Fix documentation issues
Pull Request -
State: closed - Opened by bdice almost 4 years ago
- 2 comments
Labels: misc PR, docs
#1056 - Bump version to 1.5.3.dev0
Pull Request -
State: closed - Opened by dwhswenson almost 4 years ago
- 1 comment
#1055 - Adding support for HOOMD-blue simulation engine
Issue -
State: open - Opened by bdice almost 4 years ago
- 3 comments
#1054 - OpenPathSampling 1.5.2
Pull Request -
State: closed - Opened by dwhswenson almost 4 years ago
- 2 comments
#1053 - OpenPathSampling 1.5.2
Pull Request -
State: closed - Opened by dwhswenson almost 4 years ago
- 3 comments
#1052 - Prevent non-string names in StorableNamedObject
Pull Request -
State: closed - Opened by dwhswenson almost 4 years ago
- 1 comment
Labels: misc PR
#1051 - Fixes for OpenMM 7.6 RC
Pull Request -
State: closed - Opened by dwhswenson almost 4 years ago
- 4 comments
Labels: misc PR, upstream changed
#1050 - add simstore table access via slice
Pull Request -
State: closed - Opened by sroet almost 4 years ago
- 5 comments
Labels: enhancement, experimental
#1049 - API 2.0: Improve parameters in existing code
Issue -
State: open - Opened by dwhswenson almost 4 years ago
- 4 comments
Labels: 2.0
#1048 - New path tree
Pull Request -
State: closed - Opened by dwhswenson almost 4 years ago
- 4 comments
Labels: enhancement, experimental
#1047 - Change ShootingPointAnalysisError to an Exception
Pull Request -
State: closed - Opened by sroet almost 4 years ago
- 2 comments
Labels: misc PR, 2.0
#1046 - Prevent errors in ShootingPointAnalysis with invalid (e.g., max length) trajectories
Pull Request -
State: closed - Opened by sroet almost 4 years ago
- 5 comments
Labels: bugfix
#1045 - Raise FileNotFoundError if sql backend tries to read a file that does not exist
Pull Request -
State: closed - Opened by sroet almost 4 years ago
- 2 comments
Labels: bugfix, experimental
#1044 - Fix syntax warning
Pull Request -
State: closed - Opened by sroet almost 4 years ago
- 1 comment
Labels: misc PR
#1043 - Update CI for OPS 2.0
Pull Request -
State: closed - Opened by dwhswenson almost 4 years ago
- 1 comment
Labels: misc PR, 2.0
#1042 - New `iter_generate` for OPS 2.0
Pull Request -
State: open - Opened by dwhswenson about 4 years ago
- 3 comments
Labels: API Break, 2.0
#1041 - [WIP] OpenMMToolsMCEngine
Pull Request -
State: open - Opened by dwhswenson about 4 years ago
- 2 comments
Labels: feature
#1040 - Moving in dihedral space
Issue -
State: open - Opened by samarjeet about 4 years ago
- 4 comments
#1039 - Bump version to 1.5.2.dev0
Pull Request -
State: closed - Opened by dwhswenson about 4 years ago
- 1 comment
#1038 - OpenPathSampling 1.5.1
Pull Request -
State: closed - Opened by dwhswenson about 4 years ago
- 2 comments
#1035 - Fix bug with SimStore CVs storing NumPy arrays
Pull Request -
State: closed - Opened by dwhswenson about 4 years ago
- 6 comments
Labels: bugfix, experimental
#1026 - [WIP] Analysis Filters
Pull Request -
State: open - Opened by dwhswenson about 4 years ago
- 13 comments
Labels: feature
#1001 - [WIP] Parallel committor with Dask
Pull Request -
State: open - Opened by dwhswenson over 4 years ago
Labels: feature, experimental
#986 - API 2.0: Improve consistency
Issue -
State: open - Opened by dwhswenson over 4 years ago
- 6 comments
Labels: 2.0
#794 - snapshot modification: where is it taken into account for the acceptance?
Issue -
State: closed - Opened by hejung almost 7 years ago
- 5 comments
#787 - S-shooting
Pull Request -
State: closed - Opened by singraber about 7 years ago
- 7 comments
Labels: feature
#714 - Python 3 compatibility
Issue -
State: closed - Opened by dwhswenson almost 8 years ago
- 2 comments
#701 - hash function and proxies (this is complicated!)
Issue -
State: closed - Opened by jhprinz almost 8 years ago
- 8 comments
Labels: question