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4 search results found
Hartreefock
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41
A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
Aarontools.py
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33
Python tools for automating routine tasks encountered when running quantum chemistry computations.
Chemtools
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16
Python tools for quantum chemical calculations
Tools For G09.bash
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6
Various bash scripts to aid the use of the quantum chemistry software package Gaussian 09.
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1-4 of 4 search results
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