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Gromacs
2021-sycl
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Gromacs
2021-sycl
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Collaboration diagram for Analysis Modules:Modules used in analysis tools.
A separate page describes the responsibilities of these modules: Framework for trajectory analysis
Modules | |
| Parallelizable Handling of Output Data (analysisdata) | |
| Provides functionality for handling and processing output data from analysis. | |
| Handling of writing new coordinate files | |
| Provides basic functions to handle writing of new coordinate files. | |
| Correlation functions | |
| Compute correlation functions and fit analytical functions to the result. | |
| Parsing and Evaluation of Analysis Selections (selection) | |
| Provides functionality for initializing and evaluating selections. | |
| Framework for Trajectory Analysis (trajectoryanalysis) | |
| Provides functionality for implementing trajectory analysis modules. | |
1.8.5
