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issp-center-dev / abICS

ab-Initio Configuration Sampling tool kit (abICS)
https://www.pasums.issp.u-tokyo.ac.jp/abics/en
GNU General Public License v3.0
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Calculate expectation values in the RXMC sampler #50

Closed yomichi closed 1 year ago

yomichi commented 1 year ago

Now the RXMC sampler calculates the free energy and expectation values of energy and other observables and saves them as logZ.dat and result.dat in the same format as the PAMC sampler.