adabbott Goto Github PK
Name: Adam Abbott
Type: User
Bio: Graduate Student, Quantum Chemistry
Location: Center for Computational Quantum Chemistry, University of Georgia
Adam Abbott's Projects
cclib
Parsers and algorithms for computational chemistry logfiles
cclib-data
Computational chemistry logfiles used as regression tests by cclib
finale
A collection of tools for financial market analysis
force_constants
A simple module for force constant computations on molecular potential energy surfaces
integrate
libint
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
pes-learn
Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
psi4numpy
Combining Psi4 and Numpy for education and development.
quantum-chemistry-codes
quax
Automatic differentiation for electronic structure computations
research_notes
symtensor
A mathematical implementation for generalized index mappings between arbitrary-rank symmetric tensors and their one-dimensional minimal representations
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