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ForceBalance : Systematic Force Field Optimization

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simtk.org2021-03-23 更新2025-01-22 收录
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https://simtk.org/projects/forcebalance
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ForceBalance is free software for force field optimization. It facilitates the development of more accurate force fields using a systematic and reproducible procedure.ForceBalance is highly versatile and can optimize nearly any set of parameters using experimental measurements and/or ab initio calculations as reference data.<b>SOURCE CODE:</b> For the newest features, visit the GitHub source code repository at https://github.com/leeping/forcebalance. The SVN repository on the left frame is an outdated archive.<b>RELEASES:</b> Stable versions of the code updated once every few months. Click "Releases" on the left frame for the most recent release and notes.<b>CONTACT:</b> Please contact me (Lee-Ping, right frame) if you have questions or comments! <br/><br/>This project includes the following software/data packages: <br/> <ul> <li> <a href="https://simtk.org/frs?group_id=710#pack_1160">ForceBalance </a> : Systematic force field optimization. </li> </ul>

ForceBalance是一款免费软件,旨在进行力场优化。该软件通过系统且可复现的程序,促进了更精确力场的发展。ForceBalance功能强大,能够利用实验测量数据或从头计算数据作为参考,优化几乎任何参数集。<b>源代码:</b>若想获取最新特性,请访问GitHub源代码仓库:https://github.com/leeping/forcebalance。左侧框架中的SVN仓库为过时档案。<b>版本发布:</b>代码的稳定版本每几个月更新一次。点击左侧框架上的“Releases”以获取最新版本和说明。<b>联系方式:</b>如有疑问或评论,请联系我(Lee-Ping,右侧框架)。此项目包含以下软件/数据包:<br/> <ul> <li> <a href="https://simtk.org/frs?group_id=710#pack_1160">ForceBalance </a> : 系统性力场优化。 </li> </ul>
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