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Added TotalTime to qmca 

git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6330 e5b18d87-469d-4833-9cc0-8cdfa06e9491
This commit is contained in:
William Parker 2014-07-17 16:08:10 +00:00
parent a70a13d541
commit 806071a19b
1 changed files with 8 additions and 3 deletions
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11
project_suite/executables/qmca
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@ -1652,7 +1652,7 @@ class QBase(DevBase):
mpc = 'MPC', kc = 'KEcorr', bw = 'BlockWeight',
bc = 'BlockCPU', ar = 'AcceptRatio', eff = 'Efficiency',
te = 'TrialEnergy', de = 'DiffEff', w = 'Weight',
nw = 'NumOfWalkers', sw = 'AvgSentWalkers',
nw = 'NumOfWalkers', sw = 'AvgSentWalkers', tt = 'TotalTime',
)
def log(self,*texts,**kwargs):
@ -1676,9 +1676,9 @@ class QBase(DevBase):
class DatAnalyzer(QBase):
first = 'LocalEnergy Variance Kinetic LocalPotential ElecElec LocalECP NonLocalECP IonIon'.split()
last = 'MPC KEcorr BlockWeight BlockCPU AcceptRatio Efficiency TrialEnergy DiffEff Weight NumOfWalkers LivingFraction AvgSentWalkers CorrectedEnergy'.split()
last = 'MPC KEcorr BlockWeight BlockCPU AcceptRatio Efficiency TotalTime TrialEnergy DiffEff Weight NumOfWalkers LivingFraction AvgSentWalkers CorrectedEnergy'.split()
nonenergy = set('BlockWeight BlockCPU AcceptRatio Efficiency DiffEff Weight NumOfWalkers LivingFraction AvgSentWalkers'.split())
nonenergy = set('BlockWeight BlockCPU AcceptRatio Efficiency TotalTime DiffEff Weight NumOfWalkers LivingFraction AvgSentWalkers'.split())
energy_sq = set(['Variance','LocalEnergy_sq'])
@ -1816,6 +1816,7 @@ class DatAnalyzer(QBase):
t = stats.BlockCPU.mean
wt = (data.BlockCPU*data.BlockWeight).sum()/3600
#tt = data.BlockCPU.sum()/3600
tt = data.BlockCPU.sum()
# def. of efficiency in energy.pl
#stats.Efficiency = obj(mean=w/t,var=0.0,error=0.0,kappa=1.0)
@ -1824,6 +1825,10 @@ class DatAnalyzer(QBase):
stats.Efficiency = obj(mean=1.0/(e**2*wt),var=0.0,error=0.0,kappa=1.0)
data.Efficiency = 0*data.LocalEnergy
# total time
stats.TotalTime = obj(mean=tt,var=0.0,error=0.0,kappa=1.0)
data.TotalTime = 0*data.LocalEnergy
#end if
#end def analyze