26 lines
954 B
ReStructuredText
26 lines
954 B
ReStructuredText
Input script command style
|
|
==========================
|
|
|
|
New commands can be added to LAMMPS input scripts by adding new
|
|
classes that have a "command" method. For example, the create\_atoms,
|
|
read\_data, velocity, and run commands are all implemented in this
|
|
fashion. When such a command is encountered in the LAMMPS input
|
|
script, LAMMPS simply creates a class with the corresponding name,
|
|
invokes the "command" method of the class, and passes it the arguments
|
|
from the input script. The command method can perform whatever
|
|
operations it wishes on LAMMPS data structures.
|
|
|
|
The single method your new class must define is as follows:
|
|
|
|
+---------+-----------------------------------------+
|
|
| command | operations performed by the new command |
|
|
+---------+-----------------------------------------+
|
|
|
|
Of course, the new class can define other methods and variables as
|
|
needed.
|
|
|
|
|
|
.. _lws: http://lammps.sandia.gov
|
|
.. _ld: Manual.html
|
|
.. _lc: Commands_all.html
|