RESTART

This is part of the setup module

Activate restart.

This is a Setup directive and, as such, should appear at the beginning of the input file.

Examples

Using the following input:

d: DISTANCE ATOMS=1,2
PRINT ARG=d FILE=out

a new 'out' file will be created. If an old one is on the way, it will be automatically backed up. On the other hand, using the following input:

RESTART
d: DISTANCE ATOMS=1,2
PRINT ARG=d FILE=out

the file 'out' will be appended. (See also DISTANCE and PRINT).

Attention

This directive can have also other side effects, e.g. on METAD