MRChem

Pinned Repositories

mrchem
MultiResolution Chemistry
Language:C++27 9 10721
mrchem-benchmark
Parallel benchmark calculations for the MRChem program
Language:VBA1 4 02
mrchem-singularity
Hosting recipes for Singularity Hub
Language:Roff1 7 01
mrchemsoft.github.io
Homepage of MRChemSoft
Language:Nix0 4 00
mrcpp
MultiResolution Computation Program Package
Language:C++12 8 3719
multiwavelet-tutorial
Language:Jupyter Notebook3 2 04
ReMRChem
Python relativistic implementation
Language:Python3 6 13
vampyr
Very Accurate Multiresolution Python Routines
Language:Python7 7 1810
vampyr-1
Very Accurate Multiresolution Python Routines
Language:Python0 1 00
vampyr-coven
Language:Jupyter Notebook02

MRChem's Repositories

MRChemSoft/mrchem
MultiResolution Chemistry
Language:C++27 9 10721
MRChemSoft/mrcpp
MultiResolution Computation Program Package
Language:C++12 8 3719
MRChemSoft/vampyr
Very Accurate Multiresolution Python Routines
Language:Python7 7 1810
MRChemSoft/multiwavelet-tutorial
Language:Jupyter Notebook3 2 04
MRChemSoft/ReMRChem
Python relativistic implementation
Language:Python3 6 13
MRChemSoft/mrchem-benchmark
Parallel benchmark calculations for the MRChem program
Language:VBA1 4 02
MRChemSoft/mrchem-singularity
Hosting recipes for Singularity Hub
Language:Roff1 7 01
MRChemSoft/math-tutorial-NMQC
tutorial for the NMQC conference
Language:Jupyter Notebook0 1 00
MRChemSoft/mrchem-doc
Redirection of old documentation page
00
MRChemSoft/mrchem-gui
Graphical front-end for MRChem
Language:Python0 10 01
MRChemSoft/mrchemsoft.github.io
Homepage of MRChemSoft
Language:Nix0 4 00
MRChemSoft/mw_data
Datafiles from mrcpp converted to source files
Language:C++0 5 20
MRChemSoft/QCElemental
Periodic table, physical constants, and molecule parsing for quantum chemistry.
Language:Python0 2 00
MRChemSoft/QCEngine
Quantum chemistry program executor and IO standardizer (QCSchema).
Language:Python0 2 00
MRChemSoft/vampyr-1
Very Accurate Multiresolution Python Routines
Language:Python0 1 00
MRChemSoft/vampyr-coven
Language:Jupyter Notebook02
MRChemSoft/Kinetic-energy-free-HF
Language:Jupyter Notebook1
MRChemSoft/libxc
Library of exchange-correlation functionals for density-functional theory. Please note that this is a mirror of https://gitlab.com/libxc/libxc.
Language:C1 0
MRChemSoft/metamr
Meta-stuff for the MR family
Language:Shell5 21
MRChemSoft/mrchem-examples
Collection of MRChem input files and geometries
Language:Shell4 01
MRChemSoft/nmqc-2023
Language:HTML1 03
MRChemSoft/nmqc-2025
Language:HTML2 0