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Pull requests: ISISNeutronMuon/MDMC

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Pull requests list

Remove Docker, LAMMPS and DL_POLY from workflows
#1708 opened Aug 17, 2026 by MBartkowiakSTFC Collaborator Loading…
6
Bump ase from 3.24.0 to 3.29.0 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1707 opened Aug 17, 2026 by dependabot Bot Loading…
Bump ipykernel from 6.30.1 to 7.3.0 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1706 opened Aug 17, 2026 by dependabot Bot Loading…
Bump docutils from 0.21.2 to 0.23 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1705 opened Aug 17, 2026 by dependabot Bot Loading…
Iermi peg paper
#1698 opened Jul 1, 2026 by iermi Contributor Loading…
Refine I(Q,t) data
#1695 opened Jun 12, 2026 by MBartkowiakSTFC Collaborator Loading…
2
Refactor simulation enhancement New feature or request refactor Amend code for clarity/quality
#1679 opened May 13, 2026 by oerc0122 Collaborator Loading…
@oerc0122
Bump pytest-cov from 6.2.1 to 7.1.0 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1677 opened May 13, 2026 by dependabot Bot Loading…
Bump netcdf4 from 1.7.3 to 1.7.4 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1676 opened May 13, 2026 by dependabot Bot Loading…
1
[WIP] Split ObservableFactory out of Control
#1660 opened Apr 16, 2026 by oerc0122 Collaborator • Draft
Extract minimizer creation from control housekeeping Housekeeping issues that need to be done, but don't hugely affect the actual running of MDMC.
#1659 opened Apr 15, 2026 by oerc0122 Collaborator • Draft
@oerc0122
Move responsibility of H5MD dumping out of control housekeeping Housekeeping issues that need to be done, but don't hugely affect the actual running of MDMC.
#1657 opened Apr 13, 2026 by oerc0122 Collaborator Loading…
@oerc0122
2
Migrate testing to openMM only for standard tests testing add/alter test
#1650 opened Mar 18, 2026 by oerc0122 Collaborator • Draft
@oerc0122
2
Bump periodictable from 1.7.1 to 2.1.0 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1633 opened Mar 9, 2026 by dependabot Bot Loading…
Iermi apptainer
#1621 opened Mar 2, 2026 by iermi Contributor Loading…
Bump statsmodels from 0.14.5 to 0.14.6 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1618 opened Dec 10, 2025 by dependabot Bot Loading…
Bump nbsphinx from 0.9.7 to 0.9.8 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1615 opened Nov 28, 2025 by dependabot Bot Loading…
1
GPR visualisation docs documentation Add/amend documentation post-processing Tasks relating to processing of data after an MDMC run.
#1513 opened Feb 25, 2025 by AdamG412 Contributor Loading… Release
Benchmarking docs
#1512 opened Feb 25, 2025 by AdamG412 Contributor Loading… Release
1
Gpr visualisation post-processing Tasks relating to processing of data after an MDMC run.
#1510 opened Feb 18, 2025 by AdamG412 Contributor Loading… Release
1490 gpr improvements dependencies Pull requests that update a dependency file enhancement New feature or request P5 IMMEDIATE: The highest priority for an issue, used for exceptional issues. post-processing Tasks relating to processing of data after an MDMC run.
#1508 opened Feb 14, 2025 by AdamG412 Contributor Loading… Release
1
3
Add support for fractional coordinates bug Something isn't working LAMMPS Interface Relates to the interface to LAMMPS P5 IMMEDIATE: The highest priority for an issue, used for exceptional issues.
#1505 opened Jan 13, 2025 by oerc0122 Collaborator Loading… Release
1
@oerc0122
6
asv benchmarking post-processing Tasks relating to processing of data after an MDMC run.
#1497 opened Nov 8, 2024 by AdamG412 Contributor Loading… Release
4
Add autoscale Enum and add alternative options enhancement New feature or request P5 IMMEDIATE: The highest priority for an issue, used for exceptional issues.
#1496 opened Oct 30, 2024 by oerc0122 Collaborator Loading… Prototype
1
@oerc0122
5
[WIP] Add Online GPR enhancement New feature or request P4 IMPORTANT: The typical top priority, describes what should be worked on next in most cases.
#1471 opened Sep 16, 2024 by oerc0122 Collaborator Loading… Release
@oerc0122
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