Pinned Repositories
dyson
Dyson equation solvers for electron propagator methods
ebcc
Coupled cluster models for both purely electron and coupled electron-boson models, with a focus on generality and model extensibility.
momentGW
GW approximation and associated methods using moment-conserving Dyson equation solvers
Vayesta
A Python package for wave function-based quantum embedding
auxgf
Green's function methods using auxiliary space
config
Configuration files n that
dyson-compression
gmtkn
GMTKN test sets in python
pyscf-cache
qwick
obackhouse's Repositories
obackhouse/gmtkn
GMTKN test sets in python
obackhouse/auxgf
Green's function methods using auxiliary space
obackhouse/dyson-compression
obackhouse/pyscf-cache
obackhouse/qwick
obackhouse/adc-scripts
obackhouse/agf2-ext
Extensions to the PySCF AGF2 module
obackhouse/julia-ints
Molecular integrals in Julia
obackhouse/pyscf2vmd
Interface PySCF with VMD for visualising molecules and orbitals
obackhouse/config
Configuration files n that
obackhouse/gdf
Gaussian density fitting for periodic solids
obackhouse/adcc
adcc: Seamlessly connect your program to ADC
obackhouse/albert
Toolbox for manipulating, optimising, and generating code for Einstein summations
obackhouse/data-dumps
obackhouse/drudge
CAS based on sympy focusing on tensor and noncommutative algebras
obackhouse/gristmill
Optimizing code generator based on drudge
obackhouse/momentGW
obackhouse/pdaggerq
obackhouse/psi4numpy
Combining Psi4 and Numpy for education and development.
obackhouse/pyscf
Python module for quantum chemistry
obackhouse/pytket-cutensornet
cuTensorNet Python API extensions for pytket quantum SDK
obackhouse/qccg
Quantum chemistry code generation tools
obackhouse/virus-simulation