tutorial3
Directory actions
More options
Directory actions
More options
tutorial3
Folders and files
| Name | Name | Last commit date | ||
|---|---|---|---|---|
parent directory.. | ||||
This tutorial demonstrates how to link a simulation code with libTPS. The tutorial uses a simple Ising model simulation code that I cooked up for the purpose of demonstration (i.e., it is not in any way optimized and may not be correct). The steps to using the library are as follows: step1: Obtain a simulation code capable of generating trajectories. (demonstrated here in terms of the Ising model). step2: Write a plugin that allows the code to talk with the TPS library. This works best if the code is object oriented like the Ising code, but this is not a requirement. step3: Do transition path sampling. Sample and visualize the transition path ensemble. step4: Sample and visualize the transition state ensemble step5: Compute committer surface