Atom type definition system and atom type matching method thereof
US11093685B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | May 4, 2018 |
| Grant date | Aug 17, 2021 |
| Priority date | — |
| Expiry date | Dec 13, 2038 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C20/80
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
The invention belongs to the technical field force fields and particularly provides an atom type definition system and an atom type matching method. The atom type definition system includes an atom type visual UI interface, an atom type matching module, an atom type data management module and an atom type format transformation module. The atom type data management module includes an atom type definition data package. The system and method can describe various complicated atomic chemical environments, the description capability is improved, and the computation of a force field can be more accurate. According to the invention, convenient operation on an atom type can be realized, and addition, deletion, modification, inquiry as well as statistics of multiple dimensions are very visual and convenient.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.