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Lubergroup
EnergyDensity
Commits
a3ed1497
Commit
a3ed1497
authored
3 years ago
by
Ruocheng Han
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This is python code of generating MP2, MP3, and MP4 correlation energy density based on
**one boby decomposition scheme**
(https://doi.org/10.1002/qua.22017)
Requirement of python packages:
Requirement of python packages:
\
```
python
numpy
,
scipy
,
h5py
,
torch
,
quadpy
,
itertools
,
mmap
,
tqdm
Optional of python packages:
pycuda, skcuda (if you use GPU for preparing Ajb)
```
Optional of python packages:
\
```
python
pycuda
,
skcuda
#if you use GPU for preparing Ajb
```
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