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atomec-project
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atoMEC
Python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter.
https://atomec-project.github.io/atoMEC/
BSD 3-Clause "New" or "Revised" License
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Linear solver for Numerov
#178
timcallow
closed
1 year ago
2
Make new release 1.3.0
#177
timcallow
closed
1 year ago
0
Add a function to check nmax and lmax are big enough
#176
timcallow
closed
1 year ago
1
Changes to pressure module
#175
timcallow
closed
1 year ago
1
Add E_kin and E_en attributes to EnergyAlt class
#174
timcallow
closed
1 year ago
1
Fix incorrect calculation of kinetic energy type B density
#173
timcallow
closed
1 year ago
1
Fix issue with calculation of entropy
#172
timcallow
closed
1 year ago
0
Update actions/environments to recent versions:
#171
DanielKotik
closed
1 year ago
5
Fix and update broken mirror workflow:
#170
DanielKotik
closed
1 year ago
2
Add codecov to github actions
#169
timcallow
closed
1 year ago
3
Mirror CI obviously broken
#168
DanielKotik
closed
1 year ago
1
PyPI badge does not update to recent version - automate clearing the cache?
#167
DanielKotik
closed
1 year ago
1
Make new release 1.2.0
#166
timcallow
closed
1 year ago
0
Test workflow warnings
#165
DanielKotik
closed
1 year ago
3
Add Python 3.8 badge
#164
timcallow
closed
2 years ago
0
Some minor improvements related to tests
#163
DanielKotik
closed
2 years ago
0
Update README with instructions for running tests
#162
timcallow
closed
2 years ago
0
Clean up tests
#161
timcallow
closed
2 years ago
0
Modify pressure test to include new functions
#160
timcallow
closed
2 years ago
0
Add test suite to CI
#159
timcallow
closed
2 years ago
0
Update test suite to reflect changes in source code
#158
timcallow
closed
2 years ago
0
Dynamic adjustment for chemical potential
#157
timcallow
closed
2 years ago
0
Fix error in `CalcPressure` function (attempt #2)
#156
timcallow
closed
2 years ago
0
Fix error in `CalcPressure` function
#155
timcallow
closed
2 years ago
1
Add Atom and model as parameters to `KuboGreenwood`
#154
timcallow
closed
2 years ago
0
Add `Atom` and `model` inputs to `ELFTools` class
#153
timcallow
closed
2 years ago
0
Add missing `config` variables to `pressure.py`
#152
timcallow
closed
2 years ago
0
Fix issues with `force_bound`
#151
timcallow
closed
2 years ago
0
Add pressure functions
#150
timcallow
closed
2 years ago
1
Add MIS count function
#149
timcallow
closed
2 years ago
0
Fix error in ELF integration
#148
timcallow
closed
2 years ago
0
Temperature warnings need changing
#147
timcallow
opened
2 years ago
1
Fix problem with new chem pot routine
#146
NathanERa
closed
2 years ago
0
Update README with new paper and Windows statement
#145
timcallow
closed
2 years ago
0
Improve calculation of chem pot
#144
NathanERa
closed
2 years ago
1
Update unit tests for conductivity and GGAs
#143
NathanERa
closed
2 years ago
1
Add GGA support
#142
NathanERa
closed
2 years ago
0
Mirror to CASUS not working
#141
timcallow
closed
1 year ago
1
Update CITATION.cff with Nathan
#140
timcallow
closed
2 years ago
0
Add Kubo-Greenwood functionality
#139
timcallow
closed
2 years ago
0
Add prefix to joblib data folder
#138
timcallow
closed
2 years ago
0
Remove np.matrix references
#137
timcallow
closed
2 years ago
0
Remove `numpy.matrix` statements
#136
timcallow
closed
2 years ago
1
Add unit tests
#135
timcallow
closed
2 years ago
2
Add doc checks
#134
DanielKotik
opened
2 years ago
0
Update Sphinx
#133
DanielKotik
closed
1 year ago
0
Find a way to catch TeX rendering issues within docs build step in the CI
#132
DanielKotik
opened
2 years ago
1
Avoid pipeline trigger on approved reviews:
#131
DanielKotik
closed
2 years ago
0
Make postprocess folder with localization module
#130
timcallow
closed
2 years ago
6
make a MIS property for the Density object
#129
timcallow
closed
2 years ago
0
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