mirror of https://github.com/QMCPACK/qmcpack.git
Bring back the property assignments.
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@207 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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@ -267,12 +267,12 @@ namespace ohmmsqmc {
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//accumulate the number of samples
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//accumulate the number of samples
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NumSamples += W.getActiveWalkers();
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NumSamples += W.getActiveWalkers();
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MCWalkerConfiguration::PropertyContainer_t Properties;
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MCWalkerConfiguration::iterator it = W.begin();
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MCWalkerConfiguration::iterator it = W.begin();
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MCWalkerConfiguration::iterator it_end = W.end();
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MCWalkerConfiguration::iterator it_end = W.end();
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while(it != it_end) {
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while(it != it_end) {
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MCWalkerConfiguration::PropertyContainer_t& Properties = (*it)->Properties;
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// save old sample
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// save old sample
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//ValueType psi2old = (*it)->Properties(PSISQ);
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//ValueType psi2old = (*it)->Properties(PSISQ);
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//ValueType vold = (*it)->Properties(LOCALPOTENTIAL);
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//ValueType vold = (*it)->Properties(LOCALPOTENTIAL);
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@ -285,21 +285,19 @@ namespace ohmmsqmc {
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//evaluate wave function
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//evaluate wave function
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ValueType psi = Psi.evaluate(W);
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ValueType psi = Psi.evaluate(W);
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ValueType weight = exp(2.0*(log(abs(psi))-logpsi0));
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ValueType logpsi(log(abs(psi)));
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ValueType weight = exp(2.0*(logpsi-logpsi0));
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// accumulate the effective number of walkers
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// accumulate the effective number of walkers
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nw_effect[0] += weight;
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nw_effect[0] += weight;
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nw_effect[1] += weight*weight;
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nw_effect[1] += weight*weight;
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/////////////////////////////////
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//Why are we even writing this????
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//update the properties
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//update the properties
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//Properties(WEIGHT) = weight;
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Properties(WEIGHT) = weight;
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//Properties(PSISQ) = psisq;
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Properties(LOCALENERGY) = H_KE.evaluate(W)+vold;
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//Properties(PSI) = psi;
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Properties(LOGPSI) = logpsi;
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Properties(PSI) = psi;
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////Properties(LOCALENERGY) = H.evaluate(W);
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////Properties(LOCALENERGY) = H.evaluate(W);
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//Properties(LOCALENERGY) = H_KE.evaluate(W)+vold;
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//(*it)->Properties = Properties;
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//(*it)->Properties = Properties;
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/////////////////////////////////
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++it;
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++it;
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++iconf;
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++iconf;
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}
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}
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