felipe zapata
felipeZ
Scientific-minded software engineer
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symmetric matrices algorithms to compute eigenvalue/eigenvector pairs
contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method
Optimization Algorithms in Haskell
Set of tools to extract energies and internal coordinates from a molecular dynamics simulation done with Molcas. The compiled code is distributed and execute in clusters that use the Slurm resources manager
General Ab initio on the fly molecular dynamics interface
Repositories
12symmetric matrices algorithms to compute eigenvalue/eigenvector pairs
contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method
General Ab initio on the fly molecular dynamics interface
Optimization Algorithms in Haskell
Set of tools to extract energies and internal coordinates from a molecular dynamics simulation done with Molcas. The compiled code is distributed and execute in clusters that use the Slurm resources manager
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Random thoughts about Software engineering
A conda-smithy repository for libint.
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Collect and process data streams