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Description

GULP website

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
gulp

Parallel

intel
openmpi
gulp

System Variables

HPC_GULP_DIR
HPC_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)

Validation

Validated 4/5/2018

GULP