/tools/qcmaquis
qcmaquis
qcscine/qcmaquis
46 stars16 forksC++Added February 8, 2026
summary
QCMaquis is a C++ implementation of the DMRG algorithm designed for quantum chemical calculations. It allows for the optimization of wave functions and the calculation of various quantum properties, making it a valuable tool in computational chemistry.
description
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
topics
chemistrycomputational-chemistryquantum-chemistryquantum-chemistry-methods
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