mirror of https://github.com/QMCPACK/qmcpack.git
Add BlockWeight, modify error check so zero variance computed and expected will pass
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6570 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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@ -124,7 +124,8 @@ def read_command_line():
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lpp = 'LocalECP',
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nlpp = 'NonLocalECP',
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mpc = 'MPC',
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kec = 'KEcorr'
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kec = 'KEcorr',
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bw = 'BlockWeight'
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)
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for qshort in sorted(quantities.keys()):
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@ -240,7 +241,7 @@ def check_values(options,quants_check,values):
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error_ref = ref[2*ns+1]
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mean_comp,error_comp = values[s][q]
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success &= abs(mean_comp-mean_ref) < options.nsigma*error_ref
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success &= abs(mean_comp-mean_ref) <= options.nsigma*error_ref
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#end for
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ns+=1
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#end for
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