Pinned Repositories
atomistic-software
Tracking citations of atomistic simulation engines
cgenarris
C code and Python API for random molecular crystal structure generation
cmake-basics
A basic CMake example for the 2020 MolSSI winter bootcamp
eigen-mini-app
Full-to-banded transformation mini-app for OLCF GPU Hackathon
ftvmc-test
Preliminary numerical tests of a finite-temperature VMC method
gha_example
godotalgorithm.github.io
Modern Atomism Blog
lammps
Public development project of the LAMMPS MD software package
rigid-press
Geometry optimization of molecular crystals in a rigid-body approximation
sparse-pseudo-diag
Simple reference implementation of sparse pseudo-diagonalization
godotalgorithm's Repositories
godotalgorithm/rigid-press
Geometry optimization of molecular crystals in a rigid-body approximation
godotalgorithm/godotalgorithm.github.io
Modern Atomism Blog
godotalgorithm/sparse-pseudo-diag
Simple reference implementation of sparse pseudo-diagonalization
godotalgorithm/atomistic-software
Tracking citations of atomistic simulation engines
godotalgorithm/cgenarris
C code and Python API for random molecular crystal structure generation
godotalgorithm/cmake-basics
A basic CMake example for the 2020 MolSSI winter bootcamp
godotalgorithm/eigen-mini-app
Full-to-banded transformation mini-app for OLCF GPU Hackathon
godotalgorithm/ftvmc-test
Preliminary numerical tests of a finite-temperature VMC method
godotalgorithm/gha_example
godotalgorithm/lammps
Public development project of the LAMMPS MD software package
godotalgorithm/linear-scaling-test
Companion Software to “Assessment of localized and randomized algorithms for electronic structure”
godotalgorithm/mc2err
Standardized error bars for Markov chain data.
godotalgorithm/molecool
bootcamp exercise
godotalgorithm/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
godotalgorithm/pyscf
Python module for quantum chemistry
godotalgorithm/qm_project_sss2019
QM project used at the 2019 MolSSI Software Summer School
godotalgorithm/quantum-metropolis
Supplementary material for "Measurement-Based Quantum Metropolis Algorithm"
godotalgorithm/zolotarev-number
Numerical computation of Zolotarev numbers on separated real domains (finite unions of closed intervals)