遵循以下最佳实践的项目将能够自愿的自我认证,并显示他们已经实现了核心基础设施计划(OpenSSF)徽章。 显示详细资料
[](https://www.bestpractices.dev/projects/9146)
<a href="https://www.bestpractices.dev/projects/9146"><img src="https://www.bestpractices.dev/projects/9146/badge"></a>
atomes: a toolbox to analyze, to visualize and to create/edit three-dimensional atomistic models. It offers a workspace that allows to have many projects opened simultaneously. The different projects in the workspace can exchange data: analysis results, atomic coordinates... atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes:
Classical MD: DLPOLY and LAMMPS ab-initio MD: CPMD and CP2K QM-MM MD: CPMD and CP2K
To prepare the input files for these calculations is likely to be the key, and most complicated step towards MD simulations. atomes offers a user-friendly assistant to help and guide the scientist step by step to achieve this crucial step.
Repository on GitHub, which uses git. git is distributed.
警告:需要URL,但找不到URL。
Found all required security hardening headers. // X-Content-Type-Options was not set to "nosniff".
警告:需要更长的理由。
后退