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authormaho <maho@FreeBSD.org>2004-03-19 17:32:49 +0800
committermaho <maho@FreeBSD.org>2004-03-19 17:32:49 +0800
commit0080c510af28acdc53e69968f619948401862d5b (patch)
tree4dc9076002f497108f83ba9f42a29b4057c85aa7 /science/psi3/distinfo
parent94181782ecd900a5b4d80c15fbc2e44522c27d32 (diff)
downloadfreebsd-ports-gnome-0080c510af28acdc53e69968f619948401862d5b.tar.gz
freebsd-ports-gnome-0080c510af28acdc53e69968f619948401862d5b.tar.zst
freebsd-ports-gnome-0080c510af28acdc53e69968f619948401862d5b.zip
The PSI3 suite of quantum chemical programs is designed for efficient,
high-accuracy calculations of properties of small to medium-sized molecules. The package's current capabilities include a variety of Hartree-Fock, coupled cluster, complete-active-space self-consistent-field, and multi-reference configuration interaction models. Molecular point-group symmetry is utilized throughout to maximize efficiency.
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+MD5 (psi-3.2.0.tar.bz2) = 76a495bc8e7bb6b70cb80440800ddc6d
+SIZE (psi-3.2.0.tar.bz2) = 2052847