molUP: A VMD plugin to handle QM and ONIOM calculations using the gaussian software.
Henrique S. FernandesMaria João RamosNuno M. F. S. A. CerqueiraPublished in: J. Comput. Chem. (2018)
Keyphrases
- software tools
- software design
- software systems
- software development
- source code
- database
- real time
- hardware design
- embedded systems
- maximum likelihood
- case study
- user interface
- feature vectors
- image segmentation
- gaussian mixture model
- software components
- gaussian distribution
- personal computer
- information systems
- density function
- search engine
- data sets
- commercial software