A value_list object stores a list of numbers for some set of particles as a function of time. Value lists can generally be created in two ways - during read-in of a custom trajectory file using the custom_manual read-in method, or by an analysis performed during the LAMMPS run.
To be compiled. For now, see the page on trajectory_list, where most or all of these analysis tools are documented.
| Command | Effect |
|---|---|
delete_valuelist |
Deletes a value_list from memory. |
displacement_list |
Creates a value_list containing particle displacements at a specified time gap. |
| Command | Effect | Output |
|---|---|---|
autocorrelate_value_list |
Calculates the time autocorrelation of a value_list. |
Tab-demarcated data file |
crosscorrelate_value_lists |
Determines the mean time cross-correlation of two value_lists. |
Tab-demarcated data file |
value_list (keyword threshold_value) |
Constructs a new trajectory_list, by selecting only those particles with values in the selected value_list that are in a specified value range. |
a new trajectory_list |
value_list (keyword threshold_percentile) |
Constructs a new trajectory_list, by selecting only those particles whose values in the selected value_list are in a specified percentile range. |
a new trajectory_list |
value_list (keyword write_pdb) |
Writes out a .pdb file in which the value in the beta column is drawn from a value_list. |
PDB file |
value_statistics |
Outputs distribution statistics on a value_list |
Tab-demarcated data file |
value_statistics_pertime |
Outputs value_list statistics in a time-resolved manner |
Tab-demarcated data file |