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FRQ: Support for gsd files. Format of hoomd-blue #37

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kai-luca opened this issue Jun 14, 2024 · 2 comments · Fixed by #70
Closed

FRQ: Support for gsd files. Format of hoomd-blue #37

kai-luca opened this issue Jun 14, 2024 · 2 comments · Fixed by #70
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@kay-ro
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new feature New feature release: minor Issues that need to be addressed in a minor release status: done Done and ready to merge
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release v1.1.0

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@kai-luca
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Proposed new feature or change:

Since I'm looking into hoomd-blue and this is a widely used simulation suite I would like to include support for hoomd-blue in AMEP.
They already got a python library so the only thing we have to do is translate to AMEP.
@kai-luca kai-luca added the new feature New feature label Jun 14, 2024
@kai-luca
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https://github.com/glotzerlab/gsd
Here is their library for Data IO in Python.

@hechtprojects hechtprojects added release: minor Issues that need to be addressed in a minor release status: to do Issues that someone needs to work on labels Jun 14, 2024
@kay-ro
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kay-ro commented Sep 2, 2024

connected to #47

@kay-ro kay-ro self-assigned this Sep 2, 2024
@kay-ro kay-ro added status: in progress Someone is working on this issue and removed status: to do Issues that someone needs to work on labels Sep 2, 2024
@hechtprojects hechtprojects added this to the release v1.1.0 milestone Oct 16, 2024
kay-ro pushed a commit that referenced this issue Oct 18, 2024
this branch fixes #37 and #47
2d6db15
@kay-ro kay-ro added status: ready for review Needs to be reviewed and removed status: in progress Someone is working on this issue labels Oct 21, 2024
@kay-ro kay-ro linked a pull request Oct 21, 2024 that will close this issue
gromacs+gsd/hoomd readers, general dist function, issues fixed #70
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@hechtprojects hechtprojects added status: done Done and ready to merge and removed status: ready for review Needs to be reviewed labels Nov 13, 2024
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new feature New feature release: minor Issues that need to be addressed in a minor release status: done Done and ready to merge
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release v1.1.0
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gromacs+gsd/hoomd readers, general dist function, issues fixed amepproject/amep
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@hechtprojects @kay-ro @kai-luca