Jeremy M. G. Leung

HUB for better error messages discussion

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## This is part of an initiative to improve error messages so end users can better know how to debug their simulations. This post will act as a hub where...

### Prerequisites * [x] Can you reproduce the problem in safe mode? * [x] Are you running the latest version? * [x] Are you reporting to the correct repository? *...

Automating PyPI publishing

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**Issue Number.** Is this pull request related to any outstanding issues? If so, list the issue number. **Describe the changes made.** A clear and concise description of what the problem...

modify westpa.analysis's hardcoded bytestring decode to h5io.tostr

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**Issue Number.** Is this pull request related to any outstanding issues? If so, list the issue number. **Describe the changes made.** A clear and concise description of what the problem...

Allow mdtraj.load() to read various non-standard spec PDB files

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Fixes https://github.com/mdtraj/mdtraj/issues/1808 by allowing mdtraj to read pdb files with atom numbers > 99999 and residue numbers > 9999 written in vmd/hex convention (e.g., `186a0`), [chimera/hybrid36 convention](https://cci.lbl.gov/hybrid_36/) (e.g., `A0000`) and/or...

I was trying to test my `mdtraj` branch more efficiently but kept encountering significant issues with installing mdtraj from source. I've been able to replicate the same errors on two...

Allow custom binning through haMSM restarting plugin

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**Issue Number.** Is this pull request related to any outstanding issues? If so, list the issue number. https://groups.google.com/g/westpa-users/c/zlNzsigUttw **Describe the changes made.** A clear and concise description of what the...

Running pytests in parallel

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**Issue Number.** Is this pull request related to any outstanding issues? If so, list the issue number. **Describe the changes made.** A clear and concise description of what the problem...

TRACKING: Numpy 2.0 support

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**Is your feature request related to a problem? Please describe.** A clear and concise description of what the problem is. Ex. I'm always frustrated when [...] Numpy 2.0.0 will be...

Preliminary Code Cleanup for westpa3

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**Issue Number.** Is this pull request related to any outstanding issues? If so, list the issue number. **Describe the changes made.** A clear and concise description of what the problem...