GULP¶
Description¶
GULP is a program for performing a variety of types of simulation on materials using boundary conditions of 0-D (molecules and clusters), 1-D (polymers), 2-D (surfaces, slabs and grain boundaries), or 3-D (periodic solids).
Environment Modules¶
Run module spider gulp to find out what environment modules are available for this application.
Environment Variables¶
- HPC_GULP_DIR - installation directory
- HPC_GULP_BIN - executable directory
Citation¶
If you publish research that uses GULP you have to cite it as follows:
- Gale, J. D. (1997). GULP: A computer program for the symmetry adapted simulation of solids. Journal of the Chemical Society, Faraday Transactions, 93(4), 629–637. https://doi.org/10.1039/A606455H
- Gale, J. D. (1996). Empirical potential derivation for ionic materials. Philosophical Magazine B, 73(1), 3–19. https://doi.org/10.1080/13642819608239174
- Gale, J. D., & Rohl, A. L. (2003). The General Utility Lattice Program (GULP). Molecular Simulation, 29(5), 291–341. https://doi.org/10.1080/0892702031000104887
- Gale, J. D. (2005). GULP: Capabilities and prospects. Zeitschrift für Kristallographie, 220(5–6), 552–554. https://doi.org/10.1524/zkri.220.5.552.65065
Categories¶
material_science