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authorÄlven <alven@FreeBSD.org>2025-11-02 00:52:13 +0000
committerÄlven <alven@FreeBSD.org>2025-11-03 12:56:01 +0000
commit34452b5aae112a9fde98702c52f0b7dc10db242e (patch)
tree8fdeb443aab7bb45f6b32dc75ac4d33c70e32481 /print/miktex
parentb885b76de56e0118186e23abd7dc0d845e34bb89 (diff)
science/cpcmx: [NEW PORT] Extended conductor-like polarizable continuum solvation modelHEADmain
This is an fully Free Software solvation model, based on the original conductor like screening model for realistic solvation (COSMO-RS) model by Klamt et al. in combination with the universal solvation model based on solute electron density (SMD): by Marenich, Cramer and Truhlar. WWW: https://github.com/grimme-lab/CPCM-X/ Reviewed by: diizzy@ Approved by: yuri@ (Mentor) Differential Revision: https://reviews.freebsd.org/D53531
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