andyj10224
PhD student at @CCQC at University of Georgia, Former undergraduate student with @cdsgroup at Georgia Tech
University of GeorgiaAthens, GA
Pinned Repositories
dlpno_ccsdt_q
Andy's DLPNO-CCSDT(Q) code (mad scientist style)
EinsumsInCpp
Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.
fmm
An implementation of the Fast-Multipole Method (works up to 3 levels in a reasonable amount of time),
mario
propro
Protein Processing Code
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
sherrill-covid19
Einsums
Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
psi4numpy
Combining Psi4 and Numpy for education and development.
andyj10224's Repositories
andyj10224/fmm
An implementation of the Fast-Multipole Method (works up to 3 levels in a reasonable amount of time),
andyj10224/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
andyj10224/dlpno_ccsdt_q
Andy's DLPNO-CCSDT(Q) code (mad scientist style)
andyj10224/mario
andyj10224/propro
Protein Processing Code
andyj10224/sherrill-covid19
andyj10224/2019-nCoV-research
andyj10224/DNA-bases
andyj10224/DNA-bases-new
andyj10224/dshf
andyj10224/EinsumsInCpp
Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.
andyj10224/fieldgoal
Sadly, Georgia Tech has been getting it's field goals blocked too often this year... Hopefully, this computer program will help
andyj10224/Hartree-Focks
The many Hartree-Focks I have Coded
andyj10224/hydrogen_adder
Adds hydrogens to N and C terminus of cleaved amino acid sequences from PDB (in xyz format)... Assuming all other hydrogens are there
andyj10224/JuliaChem.jl
A research-grade quantum chemistry program written in Julia
andyj10224/mysite
Source Code for www.thwcorona.com (Code By: Andy Jiang and Paula Punmaneeluk)
andyj10224/planets
andyj10224/pnab
andyj10224/proteins
andyj10224/psi4_mbis
Psi4 plugin implementation of MBIS in C++
andyj10224/psi4numpy
Combining Psi4 and Numpy for education and development.
andyj10224/psicode-hugo-website
soon to be replacement for psicode.org
andyj10224/PsiCon2020
materials from PsiCon 2020
andyj10224/pycc
PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
andyj10224/Reinvent
andyj10224/ReinventCommunity
andyj10224/scipy-2022-swag
attempt at swag design for scipy 2022
andyj10224/sherrill
andyj10224/summer-program
Repository for all summer program related programs
andyj10224/test_suite