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CHANGE_CELL

NAME
CHANGE_CELL - Recomputes the atomic coordinates according to input.

SYNOPSIS
CHANGE_CELL
DESCRIPTION
This command has an effect only when the run is restarted (see commands RESTART(&INOUT) and CONTROL(&RUN)). This command must be specified, in case one wishes to change the MD cell parameters, with respect to those dumped in the available restart file, to those specifies in the CRYSTAL directive in this environment. If CHANGE_CELL is not specified and the run is restarted, the CRYSTAL directive is ignored and the cell parameters are taken form the last configuration of the restart file. If CONTROL 0 is entered in the environment &RUN, this command has no effect.
EXAMPLES
CHANGE_CELL


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procacci 2021-12-29