from __future__ import print_function from builtins import str import pyMoleCuilder # ========================== Stored Session BEGIN ========================== i=1 print("wait1 begin") pyMoleCuilder.wait() i=2 print("wait1 end") pyMoleCuilder.CommandVerbose(str(i)) pyMoleCuilder.ParserSetOutputFormats("mpqc tremolo") print("wait2 begin") pyMoleCuilder.wait() i=i+1 print("wait2 end") pyMoleCuilder.CommandSetRandomNumbersDistribution("uniform_int", "p=1;") pyMoleCuilder.WorldChangeBox("20,0,0,20,0,20") pyMoleCuilder.AtomAdd("1", "1,1,1") pyMoleCuilder.SelectionAtomById("0 0") print("wait3 begin") pyMoleCuilder.wait() i=i+1 print("wait3 end") pyMoleCuilder.GraphSubgraphDissection() pyMoleCuilder.SelectionMoleculeOfAtom() pyMoleCuilder.FillRegularGrid("3 3 3", "0.5,0.5,0.5", "1", "0", "0", "0", "0") pyMoleCuilder.CommandVersion() print("wait4 begin") pyMoleCuilder.wait() i=i+1 print("wait4 end") # =========================== Stored Session END ===========================