Pinned Repositories
mrchem
MultiResolution Chemistry
mrchem-benchmark
Parallel benchmark calculations for the MRChem program
mrchem-singularity
Hosting recipes for Singularity Hub
mrchemsoft.github.io
Homepage of MRChemSoft
mrcpp
MultiResolution Computation Program Package
multiwavelet-tutorial
ReMRChem
Python relativistic implementation
vampyr
Very Accurate Multiresolution Python Routines
vampyr-1
Very Accurate Multiresolution Python Routines
vampyr-coven
MRChem's Repositories
MRChemSoft/mrchem
MultiResolution Chemistry
MRChemSoft/mrcpp
MultiResolution Computation Program Package
MRChemSoft/vampyr
Very Accurate Multiresolution Python Routines
MRChemSoft/multiwavelet-tutorial
MRChemSoft/ReMRChem
Python relativistic implementation
MRChemSoft/mrchem-benchmark
Parallel benchmark calculations for the MRChem program
MRChemSoft/mrchem-singularity
Hosting recipes for Singularity Hub
MRChemSoft/math-tutorial-NMQC
tutorial for the NMQC conference
MRChemSoft/mrchem-doc
Redirection of old documentation page
MRChemSoft/mrchem-gui
Graphical front-end for MRChem
MRChemSoft/mrchemsoft.github.io
Homepage of MRChemSoft
MRChemSoft/mw_data
Datafiles from mrcpp converted to source files
MRChemSoft/QCElemental
Periodic table, physical constants, and molecule parsing for quantum chemistry.
MRChemSoft/QCEngine
Quantum chemistry program executor and IO standardizer (QCSchema).
MRChemSoft/vampyr-1
Very Accurate Multiresolution Python Routines
MRChemSoft/vampyr-coven
MRChemSoft/Kinetic-energy-free-HF
MRChemSoft/libxc
Library of exchange-correlation functionals for density-functional theory. Please note that this is a mirror of https://gitlab.com/libxc/libxc.
MRChemSoft/metamr
Meta-stuff for the MR family
MRChemSoft/mrchem-examples
Collection of MRChem input files and geometries
MRChemSoft/nmqc-2023
MRChemSoft/nmqc-2025