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Empirical correction
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Empirical correction
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Obtain parameter lists for Grimme's DFT-D3 and gCP methods
Feb 7, 2022
Recent Update
Structure and usage of clusters
Compile ONETEP and run quality tests
Set Up a Remote Jupyter Server
LAMMPS compilation and integration with Python
Optimized compilation of FFTW3
Trending Tags
linux
windows
regular inspection
Anaconda3
CRYSTAL
Imperial RCS
python
cluster
ARCHER2
Sublime Text 4
Trending Tags
linux
windows
regular inspection
Anaconda3
CRYSTAL
Imperial RCS
python
cluster
ARCHER2
Sublime Text 4