MetaWave decouples Hamiltonian, wavefunction, and parallelization via C++ templates to enable a single codebase for nonrelativistic and relativistic selected-CI methods.
Forte: A Suite of Advanced Multireference Quantum Chemistry Methods
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abstract
Forte is an open-source library specialized in multireference electronic structure theories for molecular systems and the rapid prototyping of new methods. This paper gives an overview of the capabilities of Forte, its software architecture, and examples of applications enabled by the methods it implements.
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physics.chem-ph 1years
2025 1verdicts
CONDITIONAL 1representative citing papers
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MetaWave: A Platform for Unified Implementation of Nonrelativistic and Relativistic Wavefunctions
MetaWave decouples Hamiltonian, wavefunction, and parallelization via C++ templates to enable a single codebase for nonrelativistic and relativistic selected-CI methods.