翻訳と辞書 Words near each other ・ Freemount GAA ・ Freemountain Toys ・ FreeMove ・ FreeNAS ・ FreeNATS ・ Freenet ・ Freenet (Central Asia) ・ Freenet (disambiguation) ・ Freenet (ISP) ・ Freenet AG ・ Freenet digital GmbH ・ FreeNetWorld International Film Fest ・ Freenex ・ Freenode ・ Freenote ・ FreeON ・ FreeOTFE ・ Freep ・ FreePBX ・ FreePBX Distro ・ FreePCB ・ Freeplane ・ Freeplay Energy ・ FreePOPs ・ Freeport ・ Freeport (CDP), Maine ・ Freeport (LIRR station) ・ Freeport Area of Bataan ・ Freeport Area School District ・ Freeport Bridge Dictionary Lists mini英和辞書 mini和英辞書 Webster 1913 Latin-English FOLDOC Wikipedia English ウィキペディア

翻訳と辞書　辞書検索 [ 開発暫定版 ] スポンサード リンク FreeON ： ウィキペディア英語版 FreeON FreeON is an experimental, open source (GPL) suite of programs for linear scaling quantum chemistry, formerly known as MondoSCF. It is highly modular, and has been written from scratch for N-scaling SCF theory in Fortran95 and C. Platform independent IO is supported with HDF5. FreeON should compile with most modern Linux distributions. FreeON performs Hartree–Fock, pure density functional, and hybrid HF/DFT calculations (e.g. B3LYP) in a Cartesian-Gaussian LCAO basis. All algorithms are O(N) or O(N lg N) for non-metallic systems. Periodic boundary conditions in 1, 2 and 3 dimensions have been implemented through the Lorentz field ($\backslash Gamma$-point), and an internal coordinate geometry optimizer allows full (atom+cell) relaxation using analytic derivatives. Effective core potentials for energies and forces have been implemented, but Effective Core Potential (ECP) lattice forces do not work yet. Advanced features include O(N) static and dynamic response, as well as time reversible Born Oppenheimer Molecular Dynamics (MD). ==Developers== 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「FreeON」の詳細全文を読む スポンサード リンク 翻訳と辞書 : 翻訳のためのインターネットリソース Copyright(C) kotoba.ne.jp 1997-2016. All Rights Reserved.