Ecosyste.ms: Issues

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GitHub / rmcgibbo/openmm-cmd issues and pull requests

#35 - Integrate this into openmm org?

Issue - State: open - Opened by jchodera over 4 years ago - 4 comments

#34 - Add option to load `integrator_xml` ?

Issue - State: open - Opened by jhprinz about 8 years ago - 1 comment

#33 - Set up Sphinx docs?

Issue - State: open - Opened by kyleabeauchamp almost 11 years ago - 8 comments

#32 - Default config file does not work.

Issue - State: open - Opened by leeping almost 11 years ago
Labels: bug

#31 - [WIP] Py3 Compatibility

Pull Request - State: closed - Opened by rmcgibbo about 11 years ago - 2 comments

#30 - Refactor `openmm` into more than 1 file

Issue - State: open - Opened by rmcgibbo about 11 years ago - 1 comment

#29 - Remove ProgressReporter

Issue - State: open - Opened by rmcgibbo about 11 years ago - 14 comments

#28 - Python3 Compatibility

Issue - State: closed - Opened by rmcgibbo about 11 years ago

#27 - Remove argparse dependency?

Issue - State: open - Opened by leeping about 11 years ago

#26 - 2to3 modifications breaks Python 2.7 compatibility

Issue - State: closed - Opened by leeping about 11 years ago - 1 comment

#25 - Add Peter as a collaborator

Issue - State: closed - Opened by leeping about 11 years ago - 1 comment

#24 - App could print the amount of data the run will generate, in MB/GB

Issue - State: open - Opened by rmcgibbo over 11 years ago - 2 comments
Labels: enhancement

#23 - Sysxml

Pull Request - State: closed - Opened by leeping over 11 years ago - 1 comment

#22 - Small typo

Issue - State: closed - Opened by cbenzer over 11 years ago - 4 comments

#21 - Py26

Pull Request - State: closed - Opened by rmcgibbo over 11 years ago

#20 - Python 2.6 compatibility

Issue - State: closed - Opened by cbenzer over 11 years ago - 4 comments

#19 - Include CPU platform eventually

Issue - State: closed - Opened by leeping over 11 years ago - 3 comments

#18 - json restart file should probably be compressed

Issue - State: closed - Opened by rmcgibbo over 11 years ago - 3 comments

#17 - Display some "tagline" on exit

Issue - State: closed - Opened by rmcgibbo over 11 years ago - 4 comments
Labels: enhancement

#16 - Added calls to Modeller to pick up extra particles

Pull Request - State: closed - Opened by leeping over 11 years ago

#15 - context.setParameter() error when reading from restart file

Issue - State: closed - Opened by leeping over 11 years ago - 1 comment

#14 - Cryptic error when initializing using config file

Issue - State: closed - Opened by leeping over 11 years ago - 4 comments

#13 - Fixed open file descriptors

Pull Request - State: closed - Opened by mpharrigan over 11 years ago - 1 comment

#12 - Saving restart file fails

Issue - State: closed - Opened by mpharrigan over 11 years ago - 5 comments

#11 - when deserializing a system.xml, config.out.ini isn't set correctly.

Issue - State: closed - Opened by rmcgibbo over 11 years ago - 4 comments
Labels: bug

#10 - inline comments in config file

Issue - State: closed - Opened by rmcgibbo over 11 years ago - 3 comments
Labels: bug

#9 - Bad errors.

Issue - State: closed - Opened by rmcgibbo over 11 years ago - 1 comment
Labels: bug

#8 - Remaining issues before 0.1-beta

Issue - State: closed - Opened by rmcgibbo over 11 years ago - 4 comments

#7 - We should be ready for a beta test.

Issue - State: closed - Opened by leeping over 11 years ago - 9 comments

#6 - Mysterious bug when reading restart file.

Issue - State: closed - Opened by leeping over 11 years ago - 6 comments

#5 - System validation could really benefit from knowing the force field.

Issue - State: closed - Opened by leeping over 11 years ago - 3 comments
Labels: enhancement, question

#4 - Refactor restart reporter.

Pull Request - State: closed - Opened by rmcgibbo over 11 years ago - 1 comment

#2 - Command line vector input.

Issue - State: closed - Opened by leeping over 11 years ago - 1 comment
Labels: enhancement

#1 - WIP: Started checkpoint file reporter

Pull Request - State: closed - Opened by rmcgibbo over 11 years ago - 3 comments