Field data format

AMEP is compatible with multiple data formats. The current version can load particle-based simulation data obtained from LAMMPS (https://www.lammps.org) and continuum simulation data with the following format: The main directory should contain one file with data that stays constant throughout the entire simulation such as the boundaries of the simulation box, the shape of the underlying grid and the grid coordinates. It’s standard name is grid.txt and it should have the following form:

BOX:
<X_min> <X_max>
<Y_min> <Y_max>
<Z_min> <Z_max>
SHAPE:
<nx> <ny> <nz>
COORDINATES: X Y Z
<X_0> <Y_0> <Z_0>
<X_1> <Y_1> <Z_1>
...

All data that varies in time is to be put into files named dump<index>.txt. The index should increase with time, i.e., the file dump1000.txt should contain the data of the continuum simulation at timestep 1000, and the prefix dump is user-defined and can be changed (if it is changed, the new naming convention has to be specified with the keyword dumps in amep.load.traj, e.g., for files named field_100.txt, field_200.txt, …, use dumps=’field_*.txt’). The data files should have the following form:

TIMESTEP:
<Simulation timestep>
TIME:
<Physical time>
DATA: <fieldname 0> <fieldname 1> <fieldname 2> <fieldname 3>
<field 0 0> <field 1 0> <field 2 0> <field 3 0>
<field 0 1> <field 1 1> <field 2 1> <field 3 1>
<field 0 2> <field 1 2> <field 2 2> <field 3 2>
...

An exemplary dataset can be found here.