input_minimal.yaml 538 Bytes
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  #---------------------------------------------------------------------- Minimal input file
  #This file indicates the minimal set of input variables which has to be given to perform 
  #the run. The code would produce the same output if this file is used as input.
 posinp:
   units: angstroem
   cell: [ 7.0,  7.0,  7.0]
   positions:
   - N: [0.0, 0.0, 0.0]
   - N: [0.0, 0.0, 1.114989995956421]
   properties:
     format: xyz
     source: posinp.xyz
 psolver:
   environment:
     gammaS: water
     alphaS: water
     betaV: water