Computational Chemistry / Scientific Computing
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The University of British Columbia
- Vancouver, BC, Canada
- https://orcid.org/0000-0001-9234-9071
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MatrixLabTools/PotentialCalculation.jl
MatrixLabTools/PotentialCalculation.jl PublicCalculate potential energy surface between two molecules
Julia
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MatrixLabTools/PotentialDB.jl
MatrixLabTools/PotentialDB.jl PublicFunctionality to store data generated by PotentialCalculation
Julia
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MatrixLabTools/PotentialFitting.jl
MatrixLabTools/PotentialFitting.jl PublicTools to fit potential calculated with PotentialCalculation
Julia
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