AndersenThermostat Class Reference
This class uses the Andersen method to maintain constant temperature. More...
Public Member Functions | |
| def | Temperature |
| Temperature() -> string. | |
| def | CollisionFrequency |
| CollisionFrequency() -> string. | |
| def | getDefaultTemperature |
| getDefaultTemperature(self) -> double | |
| def | getDefaultCollisionFrequency |
| getDefaultCollisionFrequency(self) -> double | |
| def | getRandomNumberSeed |
| getRandomNumberSeed(self) -> int | |
| def | setRandomNumberSeed |
| setRandomNumberSeed(self, int seed) | |
| def | __init__ |
| __init__(self, double defaultTemperature, double defaultCollisionFrequency) -> AndersenThermostat __init__(self, AndersenThermostat other) -> AndersenThermostat | |
| def | __del__ |
| __del__(self) | |
Public Attributes | |
| this | |
Detailed Description
This class uses the Andersen method to maintain constant temperature.
Member Function Documentation
| def __del__ | ( | self | ) |
__del__(self)
Reimplemented from Force.
| def __init__ | ( | self, | ||
| args | ||||
| ) |
__init__(self, double defaultTemperature, double defaultCollisionFrequency) -> AndersenThermostat __init__(self, AndersenThermostat other) -> AndersenThermostat
Create an AndersenThermostat.
- Parameters:
-
defaultTemperature the default temperature of the heat bath (in Kelvin) defaultCollisionFrequency the default collision frequency (in 1/ps)
| def CollisionFrequency | ( | ) |
CollisionFrequency() -> string.
This is the name of the parameter which store the current collision frequency (in 1/ps).
| def getDefaultCollisionFrequency | ( | self | ) |
getDefaultCollisionFrequency(self) -> double
Get the default collision frequency (in 1/ps).
| def getDefaultTemperature | ( | self | ) |
getDefaultTemperature(self) -> double
Get the default temperature of the heat bath (in Kelvin).
| def getRandomNumberSeed | ( | self | ) |
getRandomNumberSeed(self) -> int
Get the random number seed. See setRandomNumberSeed() for details.
| def setRandomNumberSeed | ( | self, | ||
| args | ||||
| ) |
setRandomNumberSeed(self, int seed)
Set the random number seed. The precise meaning of this parameter is undefined, and is left up to each Platform to interpret in an appropriate way. It is guaranteed that if two simulations are run with different random number seeds, the sequence of collisions will be different. On the other hand, no guarantees are made about the behavior of simulations that use the same seed. In particular, Platforms are permitted to use non-deterministic algorithms which produce different results on successive runs, even if those runs were initialized identically.
| def Temperature | ( | ) |
Temperature() -> string.
This is the name of the parameter which stores the current temperature of the heat bath (in Kelvin).
Member Data Documentation
The documentation for this class was generated from the following file:
- openmm.py
