Chapter 11: Modifying Thermostats
In this chapter, we will provide examples of writing custom fixes to modify the thermostat controlling the system temperature, along with an example of modifying Fix Print to aid in custom simulation designs. We will create new fixes that are able to thermostat the system by adjusting atom velocities and temperature increments per iteration.
We will cover the following topics in this chapter:
- Writing a fix to apply the Andersen thermostat
- Writing a fix to apply a non-linear temperature increment
- Writing a fix to print the output at evaporation
By the end of this chapter, you will learn to modify the source code relating to the thermostatting of a system. It will enable you to design systems that require non-conventional ...
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