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@martinanibbi martinanibbi commented Oct 29, 2025

Work in progress: Integration of DMRG in MRChem.

@martinanibbi martinanibbi marked this pull request as draft October 30, 2025 09:14
@gitpeterwind
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gitpeterwind commented Dec 18, 2025

I have made a two electron integral code in #532 , so that we can write:

#include "qmoperators/two_electron/two_electron_utils.h"

void ExternalSolver::set_two_body_integrals(OrbitalVector &Phi, GenericTwoOrbitalsOperator &g) {
    this->two_body_integrals = std::make_shared<ComplexTensorR4>(calc_2elintegrals(prec, Phi));
}

(How can I propose my merged branch directly as a pr into your pr?)

@martinanibbi
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Sorry for the late reply, I think you should send a PR to the forked MRChem here: https://github.com/martinanibbi/mrchem/tree/mrchem-dmrg
Then it should automatically appear here.

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4 participants