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Psi4_tut_1.ipynb

Psi4_tut_1.ipynb

 
 

Psi4_tut_2.ipynb

Psi4_tut_2.ipynb

 
 

Psi4_tut_2_NI.ipynb

Psi4_tut_2_NI.ipynb

 
 

Psi4_tut_3.ipynb

Psi4_tut_3.ipynb

 
 

Psi4_tut_3_NI.ipynb

Psi4_tut_3_NI.ipynb

 
 

README.md

README.md

 
 

environment.yml

environment.yml

 
 

test_psi4.ipynb

test_psi4.ipynb

 
 

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Psi4 Tutorial for Beginners.

pc-chem-basics.blog.jp/

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python chemistry computational-chemistry quantum-chemistry psi4

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