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mphowardlab
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lammpsio
Python tools for working with LAMMPS files
BSD 3-Clause "New" or "Revised" License
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Bump pypa/gh-action-pypi-publish from 1.11.0 to 1.12.2
#71
dependabot[bot]
closed
3 days ago
0
Bump pypa/gh-action-pypi-publish from 1.10.3 to 1.11.0
#70
dependabot[bot]
closed
1 week ago
0
Update `copy_from` portion of `DumpFile` to work with topology
#69
clpetix
opened
4 weeks ago
0
Fix minor errors in converting with topology and writing topology to file
#68
clpetix
closed
3 weeks ago
1
Add documentation of the LabelMaps in the README.md file
#67
clpetix
closed
1 day ago
2
Make sure that an appropriate atom style is set when topology is present
#66
clpetix
closed
1 day ago
1
Only return True in has_ methods if self._N > 0
#65
clpetix
closed
1 day ago
1
Update test dependencies
#64
mphoward
closed
1 month ago
0
Add Python 3.13 to test configuration
#63
mphoward
closed
1 month ago
1
Remove support for Python 3.8
#62
mphoward
closed
1 month ago
0
[pre-commit.ci] pre-commit autoupdate
#61
pre-commit-ci[bot]
closed
1 month ago
0
Bump pypa/gh-action-pypi-publish from 1.10.2 to 1.10.3
#60
dependabot[bot]
closed
1 month ago
0
Check that property is set in the conversion methods
#59
clpetix
closed
1 month ago
3
GSD properties not set when working directly with `Frame` causes errors
#58
clpetix
closed
1 month ago
0
Bump pypa/gh-action-pypi-publish from 1.10.1 to 1.10.2
#57
dependabot[bot]
closed
1 month ago
0
Bump pypa/gh-action-pypi-publish from 1.10.0 to 1.10.1
#56
dependabot[bot]
closed
2 months ago
0
Bump pypa/gh-action-pypi-publish from 1.9.0 to 1.10.0
#55
dependabot[bot]
closed
2 months ago
0
Add support for interconversion from data to gsd
#54
clpetix
closed
1 month ago
6
Make lammpsio compatible with NumPy 2
#53
mphoward
closed
4 months ago
1
Bump pypa/gh-action-pypi-publish from 1.8.14 to 1.9.0
#52
dependabot[bot]
closed
4 months ago
1
Support reading from / writing to scaled or unwrapped coordinates
#51
PhilLecl
opened
5 months ago
1
Add wrapping and scaling methods to class Box
#50
PhilLecl
opened
5 months ago
1
Fix typo
#49
PhilLecl
closed
5 months ago
0
Test lammpsio with LAMMPS
#48
mphoward
opened
5 months ago
0
Fix reading/writing dumps with triclinic boxes
#47
PhilLecl
closed
5 months ago
0
Bug in reading/writing dumps with triclinic boxes
#46
PhilLecl
closed
5 months ago
1
Support zstd compressed dumps
#45
mphoward
closed
5 months ago
0
Add optional support for zstd-compressed dumps
#44
PhilLecl
closed
5 months ago
2
Fix image validation of dump schema
#43
mayukh33
closed
6 months ago
3
Potential bug in dump schema validation
#42
PhilLecl
closed
6 months ago
3
Bump actions/setup-python from 4 to 5
#41
dependabot[bot]
closed
6 months ago
0
Bump pypa/gh-action-pypi-publish from 1.5.1 to 1.8.14
#40
dependabot[bot]
closed
6 months ago
0
Bump actions/checkout from 3 to 4
#39
dependabot[bot]
closed
6 months ago
0
Update lammpsio packaging
#38
mphoward
closed
6 months ago
0
[pre-commit.ci] pre-commit autoupdate
#37
pre-commit-ci[bot]
closed
6 months ago
0
Add support for converting topology between gsd and LAMMPS data files.
#36
clpetix
closed
1 month ago
0
Add support for topology
#35
clpetix
closed
6 months ago
9
[pre-commit.ci] pre-commit autoupdate
#34
pre-commit-ci[bot]
closed
10 months ago
0
[pre-commit.ci] pre-commit autoupdate
#33
pre-commit-ci[bot]
closed
1 year ago
0
Fix compatibility with GSD 3
#32
mphoward
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#31
pre-commit-ci[bot]
closed
1 year ago
0
Add conda installation and stats
#30
mphoward
closed
1 year ago
0
Update install instructions to include conda-forge
#29
mphoward
closed
1 year ago
1
Embed version in package
#28
mphoward
closed
1 year ago
0
Embed version in package
#27
mphoward
closed
1 year ago
0
Do not specify precision on numpy types
#26
mphoward
closed
1 year ago
0
Break classes into separate modules for readability
#25
mphoward
closed
1 year ago
0
Support interconversion with HOOMD GSD format
#24
mphoward
closed
1 year ago
0
Refactor code style
#23
mphoward
closed
1 year ago
0
Read schema from dump files
#22
mphoward
closed
2 years ago
0
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