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exercises:2014_ethz_mmm:reaction_energy

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exercise:reaction_energy [2014/03/27 13:39] – typo oschuettexercise:reaction_energy [2014/03/27 13:42] – typo oschuett
Line 51: Line 51:
     &CELL     &CELL
       ABC 10 10 10       ABC 10 10 10
-      PERIODIC NONE              ! Non periodic calculations. That's why the POISSON scetion is needed +      PERIODIC NONE              ! Non periodic calculations. That's why the POISSON section is needed 
     &END CELL     &END CELL
     &TOPOLOGY                    ! Section used to center the atomic coordinates in the given box. Useful for big molecules     &TOPOLOGY                    ! Section used to center the atomic coordinates in the given box. Useful for big molecules
exercises/2014_ethz_mmm/reaction_energy.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1