MRChemSoft/ReMRChem: Preliminary release to obtain the DOI from ZENODO
Abstract
Preliminary release of the ReMRChem code What's Changed Complex fcns by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/4 Complex FCNS 2 by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/5 Adds test suite by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/8 Some cleanup by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/11 Helium coulomb by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/12 Helium coulomb by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/13 Fixes light speed input by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/14 Zprec by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/15 H2plus by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/17 Test atoms (copy) by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/18 Relativistic Vampyr for bielecgtronic atoms with coulomb and guant us… by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/19 fixed nuclear potentials fermi-dirac & gaussian by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/21 Modules by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/22 Gaunt test by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/24 Gaunt test by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/25 alpha in gaunt by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/26 Gaunt insiede the loop and also perturbative by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/27 GJmK fixed by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/29 save and read function tree by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/30 Gaunt test by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/31 working coulomb and gaunt by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/32 Simplifies the coulomb part by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/33 gauge first implementation by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/35 Revised (not tested) gaunt by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/36 Starts on making blocks by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/34 First attempt Gauge by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/37 Gauge2 by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/38 Restructure by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/39 Restructure by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/40 Resumes testing by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/42 reinstates calc_mu by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/44 Dirac sq by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/45 Merging gaunt and gauge stuff from Christian by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/46 dot returns complex nr instead of tuple re/im by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/48 Reactivating operators by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/49 V2 by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/51 implementation of general nuclear potential by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/52 Fixes potential none bug by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/53 1e2e by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/54 1e2e by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/55 crop by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/56 Total energy fix by @ilfreddy in https://github.com/MRChemSoft/ReMRChem/pull/57 fixed D2 for two electron total energy by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/58 Gaussian model charge and bug fixing by @Christian48596 in https://github.com/MRChemSoft/ReMRChem/pull/59 New Contributors @Christian48596 made their first contribution in https://github.com/MRChemSoft/ReMRChem/pull/13 Full Changelog: https://github.com/MRChemSoft/ReMRChem/commits/v0.1.0-alpha
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 25 February 2026