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fiber-diffraction Public
A script to simulate fiber diffraction patterns
Jupyter Notebook UpdatedJun 9, 2020 -
geomeTRIC Public
Forked from leeping/geomeTRICGeometry optimization code that includes the TRIC coordinate system
Python Other UpdatedApr 14, 2019 -
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pnab-feedstock Public
Forked from conda-forge/pnab-feedstockA conda-smithy repository for pnab.
Shell BSD 3-Clause "New" or "Revised" License UpdatedMar 22, 2024 -
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
C++ GNU Lesser General Public License v3.0 UpdatedNov 29, 2023 -
psi4numpy Public
Forked from psi4/psi4numpyCombining Psi4 and Numpy for education and development.
Jupyter Notebook BSD 3-Clause "New" or "Revised" License UpdatedNov 12, 2018 -
quantum chemistry common driver and databases
Python BSD 3-Clause "New" or "Revised" License UpdatedJul 10, 2018 -
resp Public
Forked from cdsgroup/respA. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4
Python BSD 3-Clause "New" or "Revised" License UpdatedSep 25, 2019 -
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