Pinned Repositories
ACESII_Development
Additions and/or modifications to the ACESII computational chemistry software, focused on Coupled Cluster Theory
BWPTdiagonalizers
Pilot code to study common iterative diagonalizes as they relate to Brillouin-Wigner perturbation theory
coursework
Collection of coursework while at UF
cthree
Some tests for automatic generation of quantum chemistry equations
excalibur
A web interface to extract tabular data from PDFs
General_Programs
A collection of various programs intended to harvest and plot scientific data
hugo
Automatic, brute-force creation of MBPT-infused coupled cluster diagrams
pycc
Rapid prototyping of coupled-cluster theories
test
Misc. testing for a variety of electronic structure methods
ut2
A suite of coupled-cluster methods designed to converge towards an "ultimate" T2 method
zww-4855's Repositories
zww-4855/ut2
A suite of coupled-cluster methods designed to converge towards an "ultimate" T2 method
zww-4855/ACESII_Development
Additions and/or modifications to the ACESII computational chemistry software, focused on Coupled Cluster Theory
zww-4855/BWPTdiagonalizers
Pilot code to study common iterative diagonalizes as they relate to Brillouin-Wigner perturbation theory
zww-4855/coursework
Collection of coursework while at UF
zww-4855/cthree
Some tests for automatic generation of quantum chemistry equations
zww-4855/excalibur
A web interface to extract tabular data from PDFs
zww-4855/General_Programs
A collection of various programs intended to harvest and plot scientific data
zww-4855/hugo
Automatic, brute-force creation of MBPT-infused coupled cluster diagrams
zww-4855/pycc
Rapid prototyping of coupled-cluster theories
zww-4855/test
Misc. testing for a variety of electronic structure methods
zww-4855/MSF_2022B_git
zww-4855/msfPYTEST
zww-4855/Numerical-Computation
zww-4855/OpenFermion
The electronic structure package for quantum computers.
zww-4855/OpenFermion-PySCF
OpenFermion plugin to interface with the electronic structure package PySCF.
zww-4855/pdaggerq
auto generate ult T2 method
zww-4855/periodic-table
zww-4855/pyscf
Python module for quantum chemistry
zww-4855/pyscfad
PySCF with auto-differentiation
zww-4855/python_1d_dft
1D density functional theory code in Python
zww-4855/zww4855