leila-pujal

PhD Student at Queen's University.

Queen's UniversityKingston, Ontario

Pinned Repositories

AtomDB
An Extended Periodic Table of Neutral and Charged Atomic Species
Language:Python00
chemtools
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
Language:Python0 0 00
gbasis
Python library for Gaussian basis function evaluation & integrals
Language:Python0 0 00
grid
Python Library for Numerical Molecular Integration.
Language:Python00
iodata
HORTON module for I/O with different file formats
Language:Python00
AtomDB
An Extended Periodic Table of Neutral and Charged Atomic Species
Language:Jupyter Notebook16 8 3914
chemtools
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
Language:Python48 10 722
gbasis
Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
Language:Jupyter Notebook39 14 5822
grid
Python library for numerical integration, interpolation, and differentiation on (molecular) grids.
Language:Python45 9 5419
iodata
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
Language:Python132 10 12046

leila-pujal/AtomDB
An Extended Periodic Table of Neutral and Charged Atomic Species
Language:Python00
leila-pujal/chemtools
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
Language:Python0 0 00
leila-pujal/gbasis
Python library for Gaussian basis function evaluation & integrals
Language:Python0 0 00
leila-pujal/grid
Python Library for Numerical Molecular Integration.
Language:Python00
leila-pujal/iodata
HORTON module for I/O with different file formats
Language:Python00