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mphowardlab
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relentless
Computational materials design, with less code.
https://relentless.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Implement bond interactions
#272
clpetix
opened
2 days ago
0
Bump pypa/gh-action-pypi-publish from 1.10.1 to 1.10.2
#271
dependabot[bot]
closed
1 week ago
0
Support Python 3.13
#270
mphoward
opened
3 weeks ago
0
Bump pypa/gh-action-pypi-publish from 1.10.0 to 1.10.1
#269
dependabot[bot]
closed
3 weeks ago
0
Test LAMMPS 29 Aug 2024
#268
mphoward
opened
1 month ago
0
Drop support for HOOMD 2
#267
mphoward
opened
1 month ago
4
Drop support for Python 3.8
#266
mphoward
opened
1 month ago
0
Bump pypa/gh-action-pypi-publish from 1.9.0 to 1.10.0
#265
dependabot[bot]
closed
1 month ago
0
Convert README to markdown
#264
mphoward
closed
1 month ago
0
Ensure LAMMPS gets sent integer time values.
#263
clpetix
closed
1 month ago
0
Ensure flush is called if HOOMD is version 4 or higher.
#262
clpetix
closed
1 month ago
0
Make sure HOOMD writer has `flush()` called before
#261
clpetix
closed
1 month ago
0
Convert time steps to integer before sending to the simulation engines
#260
clpetix
closed
1 month ago
1
Run GitHub Actions on a regular interval
#259
clpetix
opened
1 month ago
1
[pre-commit.ci] pre-commit autoupdate
#258
pre-commit-ci[bot]
closed
3 months ago
0
Support HOOMD 4
#257
mphoward
closed
3 months ago
0
Test Python 3.12 and LAMMPS 2 August 2023
#256
mphoward
closed
3 months ago
0
Improve handling of potential names from JSON files
#255
mphoward
closed
3 months ago
6
Fix inclusion of README in setup.cfg
#254
mphoward
closed
3 months ago
0
Make relentless compatible with NumPy 2
#253
mphoward
closed
3 months ago
1
Fix scale to work as documented
#252
clpetix
closed
3 months ago
7
`scale` not working as documented for non-one scaling factors
#251
clpetix
closed
3 months ago
0
Bump pypa/gh-action-pypi-publish from 1.8.14 to 1.9.0
#250
dependabot[bot]
closed
3 months ago
1
ValueError when loading potentials from different iterations.
#249
clpetix
closed
3 months ago
3
README extension wrong in `setup.cfg`
#248
mphoward
closed
1 month ago
2
Distribute relentless on conda-forge
#247
mphoward
closed
5 months ago
2
Consider both ij and ji pairs in RDF calculations
#246
clpetix
closed
5 months ago
5
RDF calculation is only considering ij pairs not ji pairs.
#245
clpetix
closed
5 months ago
0
Bump actions/setup-python from 4 to 5
#244
dependabot[bot]
closed
6 months ago
0
Bump conda-incubator/setup-miniconda from 2 to 3
#243
dependabot[bot]
closed
6 months ago
0
Bump pypa/gh-action-pypi-publish from 1.8.10 to 1.8.14
#242
dependabot[bot]
closed
6 months ago
0
Bump actions/checkout from 3 to 4
#241
dependabot[bot]
closed
6 months ago
0
Add dependabot for GitHub actions
#240
mphoward
closed
6 months ago
0
Add support for freud version 3
#239
clpetix
closed
6 months ago
2
Support freud 3.x
#238
mphoward
closed
6 months ago
1
[pre-commit.ci] pre-commit autoupdate
#237
pre-commit-ci[bot]
closed
6 months ago
0
Add bonded interactions
#236
clpetix
opened
7 months ago
0
Rearrange barostat arguments for Langevin Dynamics during next major revision
#235
clpetix
opened
7 months ago
0
Add box resizing to MD integrators
#234
clpetix
opened
8 months ago
3
Add box resizing to MD integrators
#233
mphoward
opened
8 months ago
0
Check for compatibility between box dimension and Lz for HOOMD versions
#232
clpetix
closed
8 months ago
4
[pre-commit.ci] pre-commit autoupdate
#231
pre-commit-ci[bot]
closed
9 months ago
0
Check for compatibility between box dimension and Lz for HOOMD versions
#230
mphoward
closed
8 months ago
1
Test Python 3.12
#229
mphoward
closed
3 months ago
0
Add option to specify whether HOOMD runs on CPU or GPU
#228
mphoward
closed
3 months ago
0
`relentless.simulate.InitializeRandomly` fails to raise "Failed to randomly pack this box" error in MPI
#227
clpetix
opened
10 months ago
1
Revisit test and publish workflows
#226
mphoward
opened
10 months ago
0
Shorten tests and update workflows
#225
mphoward
closed
10 months ago
0
[pre-commit.ci] pre-commit autoupdate
#224
pre-commit-ci[bot]
closed
11 months ago
0
Use absolute path for `InitializeFromFile`
#223
clpetix
closed
11 months ago
1
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