Found 7 repositories(showing 7)
AlexB67
A small ab initio package for electronic structure calculations.
AlexB67
An application for viewing normal modes, xyz and cml files. PSI4 and hfscf compatible.
Hfscfsdu87h
Config files for my GitHub profile.
vdellabalda
A fairly crude python implementation of a self-consistent field solver for the Hartree-Fock method. Work in progress.
lilyacb
Library for performing Hartree-Fock Self-Consistent Field orbital energy calculations using R and Fortran.
Chiang272
No description available
Jussmith01
A home built Hartree-Fock Self Consistent Field program with the Configuration Interaction Singles method for calculating excited states. I built this for class projects. It was early in my understanding of C/C++. The inital HF-SCF program was written fall 2014 while the CIS part was written spring 2015.
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