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Commit e9aa7014 authored by Ruocheng Han's avatar Ruocheng Han
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Update README.md

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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:
```shell
numpy, scipy, h5py, torch, quadpy, itertools, mmap, tqdm
```python
numpy, scipy, h5py, (py)torch, quadpy, itertools, mmap, tqdm
```
Optional of python packages:
```shell
pycuda, skcuda # if you use GPU for preparing Ajb
```python
pycuda, skcuda # if you use GPU for calculating Ajb
(py)torch-gpu # if you use GPU for calculating t(n)
```
Requirement of external packages to run example files:
```shell
```python
psi4 # to generate wavefunction and FCIDUMP file
molden2aim # to convert molden format to .WFN
```
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