From e9aa701445e3dd2e3a0af8fbb80d63824044ec6e Mon Sep 17 00:00:00 2001
From: Ruocheng Han <ruocheng.han@chem.uzh.ch>
Date: Fri, 21 May 2021 13:55:11 +0000
Subject: [PATCH] Update README.md

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 README.md | 11 ++++++-----
 1 file changed, 6 insertions(+), 5 deletions(-)

diff --git a/README.md b/README.md
index 8382022..7a3abbe 100644
--- a/README.md
+++ b/README.md
@@ -3,15 +3,16 @@
 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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