Difference between revisions of "GULP"
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{{#if: {{#var: citation}}|==Citation== | {{#if: {{#var: citation}}|==Citation== | ||
If you publish research that uses {{#var:app}} you have to cite it as follows: | If you publish research that uses {{#var:app}} you have to cite it as follows: | ||
| − | + | ||
| + | * GULP - a computer program for the symmetry adapted simulation of solids, J.D. Gale, JCS Faraday Trans., 93, 629 (1997) | ||
| + | * Empirical potential derivation for ionic materials, J.D. Gale, Phil. Mag. B, 73, 3, (1996) | ||
| + | * The General Utility Lattice Program, J.D. Gale and A.L. Rohl, Mol. Simul., 29, 291-341 (2003) | ||
| + | * GULP: Capabilities and prospects, J.D. Gale, Z. Krist., 220, 552-554 (2005) | ||
|}} | |}} | ||
<!--Installation--> | <!--Installation--> | ||
Revision as of 00:47, 6 May 2013
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).
Required Modules
Serial
- intel
- {{#lowercase:GULP}}
Parallel
- intel
- openmpi
- {{#lowercase:GULP}}
System Variables
- HPC_{{#uppercase:GULP}}_DIR
- HPC_{{#uppercase:GULP}}_BIN
Citation
If you publish research that uses GULP you have to cite it as follows:
- GULP - a computer program for the symmetry adapted simulation of solids, J.D. Gale, JCS Faraday Trans., 93, 629 (1997)
- Empirical potential derivation for ionic materials, J.D. Gale, Phil. Mag. B, 73, 3, (1996)
- The General Utility Lattice Program, J.D. Gale and A.L. Rohl, Mol. Simul., 29, 291-341 (2003)
- GULP: Capabilities and prospects, J.D. Gale, Z. Krist., 220, 552-554 (2005)