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ovgu-iwf
mecha-dft
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03af43e59a2078de900e677947020f7f6bf18bca
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port-julia
port-python
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Created with Raphaël 2.2.0
24
Apr
1
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Fix typos in B,G formula by Hill (no change in results for tetragonal thanks to symmetry)
master
master
track basis and potential in repo
Merge branch 'port-python' of gitlab@git.ccs-baumann.de:ovgu-iwf/mecha-dft.git
better convergence limits in template
template command: BASE_PATH
Bugfixes
port-python
port-python
allow parallel execution of independent DFT calculations
translate to python
compute B, G using formulas we have citations for
write reference cell for all computations to make sure fft stays the same
some var-name semantic changes
attempt port to julia
port-julia
port-julia
track in git