Dice Player Translation, Initial work on Dice Processes
This commit adds the functions responsible for creating Dice inputs and calling dice it self, the original functions were removed from the Dice.py file and added to SetGlobals' Internal and Dice classes Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>
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@@ -2,20 +2,21 @@
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initcyc = 1
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maxcyc = 3
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opt = NO
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nprocs = 2
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qmprog = g09
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nprocs = 4
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qmprog = g16
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lps = no
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ghosts = no
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altsteps = 20000
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# dice
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ncores = 1
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ncores = 3
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nmol = 1 100
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dens = 0.75
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nstep = 40000 60000 50000
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isave = 1000
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ljname = phb.pot
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outname = phb
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init = yes
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# Gaussian
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level = MP2/aug-cc-pVTZ
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