GENERATE

NAME
GENERATE - Replicate solvent molecules.
SYNOPSIS
GENERATE [RANDOMIZE] ia ib ic
DESCRIPTION
This command is used to generate a lattice of $ ia\times ib\times ic$ cells belonging to the Bravais lattice specified in the command CELL. The optional string RANDOMIZE is used for assigning a random rotation to each solvent molecule in the lattice.
EXAMPLES
 
&SOLVENT
   CELL SC 
   GENERATE RANDOMIZE  4 4 4
   ....
&END
The elementary cell is simple cubic with one molecule per unit cell. 64 cells are generated (four in each direction).


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procacci 2021-12-29