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C++ and Fortran are what come to mind for computational chemistry due to the legacy libraries but it's been a long long time since I've used Gaussian.
by abirch 4y ago
C++ and Fortran are what come to mind for computational chemistry due to the legacy libraries but it's been a long long time since I've used Gaussian.
- rsfern 4y agoi think there are only a couple exceptions to the Fortran/C++ rule. DFTK.jl is the only one I know written in Julia, and there’s GPAW and pySCF in python