Program to simulate classical solid at ultra-low temperature To be submitted to J. Comp. Chem. (see Article Information for more info)

To compile:

1. If deployed on MAC OS, adapting 'makefile' first, by following instructions in 'makefile'
2. Type make
3. Enjoy the simulation!

Program to simulate classical solid at ultra-low temperature Input: qmc.input //For general input. See qmc.input for details parah2.pot //Molecular interaction files h2matrix.pos //Initial structure for solid Output: *.gra //Structure of solid *.eng //Energy of solid screan output //Metadata for simulation: A/R, #steps

Article Information:

Molecular Dynamics and Structure of pH2 Solid Arthors: Lecheng Wang, Pierre-Nicholas Roy and Rober J Le Roy Contact: [email protected]