Professor in Quantum Chemistry and Multiscale Modeling at the Vrije Universiteit Amsterdam.
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pcmsolver
pcmsolver PublicForked from PCMSolver/pcmsolver
An API for the Polarizable Continuum Model
C++
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laplace-minimax
laplace-minimax PublicForked from bhelmichparis/laplace-minimax
Routine that computes the numerical Laplace weights and exponents of orbital energy denominators using the minimax approximation
Fortran
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