RANDOM SEED: Difference between revisions
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The random-number-generator (RNG) is used at several instances of a molecular dynamics simulation such as the initialization of atomic velocities, the Andersen thermostat ({{TAG|MDALGO}}=1 {{!}} 11), etc. The seed for the RNG can be supplied by the user by means of the {{TAG|RANDOM_SEED}}-tag. This is useful, for instance, if one needs to reproduce a previously performed calculation. | The random-number-generator (RNG) is used at several instances of a molecular dynamics simulation such as the initialization of atomic velocities, the Andersen thermostat ({{TAG|MDALGO}}=1 {{!}} 11), etc. The seed for the RNG can be supplied by the user by means of the {{TAG|RANDOM_SEED}}-tag. This is useful, for instance, if one needs to reproduce a previously performed calculation. | ||
The initial value of {{TAG|RANDOM_SEED}}, and the value after performing each MD step are written in the {{FILE|REPORT}} file. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 14:39, 23 April 2014
RANDOM_SEED = [integer array]
Default: RANDOM_SEED = based on the system clock
Description: RANDOM_SEED specifies the seed of the random-number-generator (in case VASP was compiled with -Dtbdyn).
The random-number-generator (RNG) is used at several instances of a molecular dynamics simulation such as the initialization of atomic velocities, the Andersen thermostat (MDALGO=1 | 11), etc. The seed for the RNG can be supplied by the user by means of the RANDOM_SEED-tag. This is useful, for instance, if one needs to reproduce a previously performed calculation.
The initial value of RANDOM_SEED, and the value after performing each MD step are written in the REPORT file.