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Commits on Sep 3, 2026

• Try to fix 404 Not Found errors when setting up the software environment in GitHub Actions (#1190)

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  drroe

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  Daniel R. Roe

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Commits on Apr 8, 2026

• Update codeql action from v3 to v4 (#1178)

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  drroe

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  Daniel R. Roe

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Commits on Apr 9, 2025

• Change all codeql v2 references to v3; see https://github.blog/changelog/2025-01-10-code-scanning-codeql-action-v2-is-now-deprecated/ (#1138)

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Commits on Feb 15, 2025

• Update handling of Zlib by configure (#1130)

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  drroe

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  Daniel R. Roe

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Commits on Jan 8, 2025

• Try to improve compatibility with system readline libraries (#1126)

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Commits on Mar 7, 2024

• Do not use "bad" box info from PDB files (#1068)

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  drroe

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  Daniel R. Roe

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Commits on Dec 18, 2023

• Fix the -DDEBUG compile (#1061)

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Commits on Dec 13, 2023

• Add ability to change names in 'atommap' command (#1060)

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Commits on Nov 2, 2023

• Add ability to utilize and manipulate internal coordinates (#1053)

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  Daniel R. Roe

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Commits on Aug 18, 2023

• Add 'parsetiming' command (#1046)

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  drroe

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  Daniel R. Roe

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Commits on Jul 25, 2023

• Add 'openmm' keyword to 'energy' action (#1042)

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  Daniel R. Roe

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Commits on Jul 7, 2023

• Try to add a pytraj GitHub Actions build job (#1035)

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Commits on Apr 26, 2023

• Update version of NetCDF that CPPTRAJ will try to build. (#1025)

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  Daniel R. Roe

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Commits on Dec 16, 2022

• Fix potential memory corruption from BufferedFrame. Fix 'check' when box is corrupted. (#1009)

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Commits on Dec 4, 2022

• Create codeql.yml (#1006)

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Commits on Nov 17, 2022

• Add NetCDF4/HDF5 support, including support for compressed NetCDF trajectories. (#999)

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Commits on Mar 11, 2022

• Revamp the Cmake build system (#955)

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Commits on Feb 11, 2022

• Fix the cmake MPI build (#945)

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Commits on Jun 15, 2021

• Fix `configure` behavior for "optional" libraries (#905)

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Commits on Apr 4, 2021

• Add PME for GIST (#889)

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Commits on Mar 15, 2021

• Fixes and improvements related to random number generation. Improvements for data set filtering. (#887)

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Commits on Mar 6, 2021

• Reorganize test utilities, add unit tests. (#885)

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Commits on Jan 28, 2021

• Add a GitHub Actions workflow (#864)

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