Store the parameters for a simulation barostat. Includes Monte-Carlo and Berendesen barostats with atomic virials.
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#include <barostat.h>
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BarostatKind | getKind () const |
| Get the kind of barostat.
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| Barostat () |
| The constructor can be blank (implying a barostat of kind NONE), take a specific barostat kind (implying default settings for that type of piston), or take specific settings for all aspects of the barostat.
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| Barostat (BarostatKind kind) |
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Store the parameters for a simulation barostat. Includes Monte-Carlo and Berendesen barostats with atomic virials.
The documentation for this class was generated from the following files:
- src/Trajectory/barostat.h
- src/Trajectory/barostat.cpp