Changeset 13088d for util/src


Ignore:
Timestamp:
Jul 3, 2009, 2:24:16 PM (16 years ago)
Author:
Frederik Heber <heber@…>
Children:
ea9696
Parents:
378e87
Message:

Small changes in the scripts

CalculateDensity: prefix was wrongly set
CalculateMass: atomicmassunit is the correct name from units, not atomicmass

Location:
util/src
Files:
2 edited

Legend:

Unmodified
Added
Removed

  • util/src/CalculateDensity.sh.in

    r378e87 r13088d  
    33# calculates the density of a molecule contained in a espack config file
    44
     5exec_prefix=@prefix@
    56MOLECUILDER="@bindir@/molecuilder"
    67

  • util/src/CalculateMass.sh.in

    r378e87 r13088d  
    33# calculates mass of a molecule in a XYZ file
    44
     5exec_prefix=@prefix@
    56ELEMENTSDB="@bindir@/elements.db"
    67
    … …  
    3334done
    3435
    35 echo "Totalmass is $totalmass atomicunits"
     36echo "Totalmass is $totalmass atomicmassunit"
    3637exit 0
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