PSI3 is a suite of programs for computing various properties of small- to medium-sized molecules using high-accuracy, ab initio, quantum mechanical models.
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PSI 3.4
PSI 3.4.0 is available as of 16 February 2009.
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File released: /psi/3.4.0/psi-3.4.0.tar.gz
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File released: /psi/3.4.0/psi-3.4.0.tar.gz.md5
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File released: /psi/3.4.0/psi-3.4.0.tar.bz2
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Related Projects
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PsiCoder
A didactic tool, made for the support of teaching and learning of basic computer programming courses through the edition and execution of pseudocode.
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Faulhaber
An efficient program for computing coefficients of Faulhaber formulas for sums of consecutive powers. The GNU GMP library is used for arithmetic operations, in order to ensure proper handling of big numbers.
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