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exercises:2014_ethz_mmm:geometry_optimization

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exercise:geometry_optimization [2014/02/21 11:28] oschuettexercise:geometry_optimization [2014/02/21 11:28] oschuett
Line 39: Line 39:
   &END MM   &END MM
   &SUBSYS   &SUBSYS
-    &CELL+   &CELL
     ABC [angstrom] 10 10 10     ABC [angstrom] 10 10 10
       PERIODIC NONE       PERIODIC NONE
exercises/2014_ethz_mmm/geometry_optimization.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1