INIT
Controls the initialization if the beads are not present [Edit on GitHub]
Keywords
Keyword descriptions
CENTROID_SPEED
Type: logical
Default: F
Lone keyword: T
Description: adds random velocity component to the centroid modes (useful to correct for the averaging out of the speed of various beads) [Edit on GitHub]
LEVY_CORRELATED
Type: logical
Default: F
Lone keyword: T
Description: Use the same Levy path for all atoms, though with mass-dependent variances (might help at very low T) [Edit on GitHub]
LEVY_POS_SAMPLE
Type: logical
Default: F
Lone keyword: T
Description: Sample bead positions assuming free particle behavior (performs a Levy random walk of length P around the classical position of each atom at the physical temperature defined in PINT%TEMP) [Edit on GitHub]
LEVY_SEED
Type: integer
Default: 1234
Usage: LEVY_SEED
Description: Initial seed for the (pseudo)random number generator that controls Levy walk for bead positions. [Edit on GitHub]
LEVY_TEMP_FACTOR
Type: real
Default: 1.00000000E+000
Description: Multiplicative correction factor for the temperature at which the Levy walk is performed (correction is due to the interactions that modify the spread of a free particle) [Edit on GitHub]
RANDOMIZE_POS
Type: logical
Default: F
Lone keyword: T
Description: add gaussian noise to the positions of the beads [Edit on GitHub]
THERMOSTAT_SEED
Type: integer
Default: 12345
Usage: THERMOSTAT_SEED
Description: Initial seed for the (pseudo)random number generator that controls the PILE and PIGLET thermostats. [Edit on GitHub]
VELOCITY_QUENCH
Type: logical
Default: F
Lone keyword: T
Description: set the initial velocities to zero [Edit on GitHub]
VELOCITY_SCALE
Type: logical
Default: F
Lone keyword: T
Description: scale initial velocities to the temperature given in MOTION%PINT%TEMP [Edit on GitHub]