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zincware
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MDSuite
A post-processing engine for particle simulations
https://mdsuite.readthedocs.io/
Eclipse Public License 2.0
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Zero GreenKubo/EinsteinHelfand Ionic Conductivity in NaCl_walkthrough MDSuite-0.2.0
#607
Z-Rashid
closed
6 days ago
3
mannually increase maxfev
#605
hguo28
opened
2 months ago
1
update_user_args in NernstEinsteinIonicConductivity
#604
okunoyukihiro2
opened
6 months ago
8
On the error for RadialDistributionFunciton
#603
okunoyukihiro2
closed
6 months ago
6
Error in Molten_Salt_comparison : 'Dataset' object has no attribute 'nbytes'
#602
okunoyukihiro2
closed
6 months ago
2
PyPi Release
#601
PythonFZ
opened
11 months ago
0
[pre-commit.ci] pre-commit autoupdate
#600
pre-commit-ci[bot]
opened
1 year ago
0
Bump docutils from 0.19 to 0.20.1
#599
dependabot[bot]
opened
1 year ago
0
[WIP] use ZnH5MD
#598
PythonFZ
opened
1 year ago
0
use pre-commit.ci
#597
PythonFZ
closed
1 year ago
2
Bump sphinx from 5.3.0 to 7.0.1
#596
dependabot[bot]
opened
1 year ago
0
Bump docutils from 0.19 to 0.20
#595
dependabot[bot]
closed
1 year ago
1
Bump sphinx from 5.3.0 to 7.0.0
#594
dependabot[bot]
closed
1 year ago
1
Remote SQL (Analysis database)
#593
SamTov
opened
1 year ago
0
Bump sphinx from 5.3.0 to 6.2.1
#592
dependabot[bot]
closed
1 year ago
1
Bump sphinx from 5.3.0 to 6.2.0
#591
dependabot[bot]
closed
1 year ago
1
Update the headers of the files.
#590
PythonFZ
opened
1 year ago
0
add DOI badge
#589
PythonFZ
closed
1 year ago
1
update readme with disclaimer
#588
SamTov
closed
1 year ago
0
Allow for new groups to be added after DS creation.
#587
SamTov
closed
1 year ago
0
remove plot rescaling to fix bug
#586
SamTov
closed
1 year ago
2
Plots are not displayed properly in jupyter
#585
PythonFZ
closed
1 year ago
3
Add `zincware` badge
#584
PythonFZ
closed
1 year ago
0
Python fz add dataset keys
#583
PythonFZ
closed
1 year ago
0
Update .pre-commit-config.yaml
#582
PythonFZ
closed
1 year ago
2
Move system transformations to new folder
#581
SamTov
closed
1 year ago
0
[merge before other PRs] ruff updates
#580
PythonFZ
closed
1 year ago
0
remove numpy float and int values
#579
SamTov
closed
1 year ago
0
update ruff excluded
#578
PythonFZ
opened
1 year ago
3
Update pytest.yml
#577
PythonFZ
closed
1 year ago
0
Bump sphinx from 5.3.0 to 6.1.3
#576
dependabot[bot]
closed
1 year ago
1
Bump sphinx from 5.3.0 to 6.1.2
#575
dependabot[bot]
closed
1 year ago
1
Bump sphinx from 5.3.0 to 6.1.1
#574
dependabot[bot]
closed
1 year ago
1
Bump sphinx from 5.3.0 to 6.1.0
#573
dependabot[bot]
closed
1 year ago
1
Bump sphinx from 5.3.0 to 6.0.0
#572
dependabot[bot]
closed
1 year ago
3
[WIP] Sam tov new tests
#571
SamTov
closed
1 year ago
0
Adding new data in different group impossible after first run
#570
SamTov
closed
1 year ago
0
Change compression algorithm
#569
SamTov
closed
1 year ago
7
System wide observables and data loading
#568
SamTov
closed
1 year ago
2
replace flake8 with ruff
#567
PythonFZ
closed
1 year ago
7
use poetry
#566
PythonFZ
opened
1 year ago
0
Low memory tests
#565
SamTov
closed
1 year ago
3
Sam tov fix memory scaling tests
#564
SamTov
closed
1 year ago
0
Sam tov memory scaling function
#563
SamTov
closed
1 year ago
0
Bump sphinx from 5.1.1 to 5.3.0
#562
dependabot[bot]
closed
1 year ago
0
Bump sphinx from 5.1.1 to 5.2.3
#561
dependabot[bot]
closed
1 year ago
1
Bump sphinx from 5.1.1 to 5.2.2
#560
dependabot[bot]
closed
1 year ago
1
Bump sphinx from 5.1.1 to 5.2.1
#559
dependabot[bot]
closed
1 year ago
1
requirement resolving could cause issues
#558
PythonFZ
opened
1 year ago
1
Use `conftest.py` to simplify tests
#557
PythonFZ
opened
1 year ago
1
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