Examples to run simulations with multiplicities

The examples in combo show how to use multiple processes and loops to combine several runs in one run.

Table 1. The files listed in combo package.

filename class comment
combo-run.pl script

A perl script to run the test.

sw-tvn-evn.xml ohmmsapp

A main xml file with two sequential processes. The first process peforms tvn simulation to thermalize at target temperature and the second process performs evn simulation.

multiloop.xml ohmmsapp

A main xml file to perform evn simulations with multiple loops. The velocity of the particle set is rescaled whenever a loop starts.

anneal.xml ohmmsapp

A main xml file to perform evn simulations with multiple loops. First 5 loops only rescale the velocities to heat up the system. The last loop perform annealing simulation by lowering temperature by a differential.


   
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