susilehtola
Theoretical physics PhD working in computational / quantum chemistry.
University of HelsinkiHelsinki, Finland
Pinned Repositories
adcc
adcc: Seamlessly connect your program to ADC
AI_ENERGIES
Ab Initio Energies
basis_set_exchange
A repository for quantum chemistry basis sets
clusterdec
Cluster decomposition
cmdline
A Command Line Parser
erkale
ERKALE -- HF/DFT from Hel
fosschemistry
Computational chemistry with free and open source software
HelFEM
Finite element methods for electronic structure calculations on small systems
OpenOrbitalOptimizer
Open Orbital Optimizer
x2dhf
Two-Dimensional Finite Difference Hartree-Fock Program
susilehtola's Repositories
susilehtola/cmdline
A Command Line Parser
susilehtola/AI_ENERGIES
Ab Initio Energies
susilehtola/arpack-arma
A header-only C++ redesign of ARPACK using the Armadillo library
susilehtola/basis_sets
Here you can find all my published basis sets
susilehtola/book
The Rust Programming Language
susilehtola/cppcheck
static analysis of C/C++ code
susilehtola/diatomic_reference
Reference data for diatomic molecules
susilehtola/gau2grid
Fast computation of a gaussian and its derivative on a grid.
susilehtola/horton
HORTON: Helpful Open-source Research TOol for N-fermion systems
susilehtola/libcint
general GTO integrals for quantum chemistry
susilehtola/libint
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
susilehtola/numgrid
Numerical integration grid for molecules.
susilehtola/nwchem
NWChem: Open Source High-Performance Computational Chemistry
susilehtola/OpenBLAS
OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.
susilehtola/packmol
Packmol
susilehtola/pyflosic
Python based Fermi-Löwdin orbital self-interaction-correction
susilehtola/qcint
An optimized libcint branch for X86 platform
susilehtola/social-coding
Talk about social coding and open software.
susilehtola/sparrow