Back to main menu

Format: MOLDY

Name: configuration for MOLDY

Extension: unspecified (Atomsk uses .mol)

Specification: MOLDY Wiki

Visualization programs: none


Atomsk can read MOLDY configuration files (e.g. "" or "system.out"). As stated in the specification, the second line contains three integers that correspond to the number of replicas along the X, Y and Z directions. Atomsk will read these numbers and actually perform the replication (i.e. these integers have the same effect as the option -duplicate).

When writing to the MOLDY format, Atomsk will use ".mol" for the file extension. The atom masses that are written are those of the most common isotopes as provided by the National Institute of Standards and Technology (NIST).


Back to main menu