Skip to content
/ shf Public

A simple Hartree–Fock, MP2 and CCSD program

Notifications You must be signed in to change notification settings

yfyh2013/shf

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

9 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

shf

A simple Hartree–Fock program with MP2 and CCSD extension.

This program is written to learn a bit about quantum chemistry and fortran programming. Until now I stick at most to the crawdad programming project (link below). I share my first program in the hope that it helps someone when starting either with fortran or quantum chemistry.

http://sirius.chem.vt.edu/wiki/doku.php?id=crawdad:programming

CCSD code is under development and currently not working.

About

A simple Hartree–Fock, MP2 and CCSD program

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published