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Computation of forces on atoms in VMC or DMC (Gaussian basis sets. FIND US. . Computation of ground and excited state energies.
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Strong-scaling parallel speedup for DMC calculations with CASINO for a atom supercell of silicon (N = electrons), performed on Jaguar.
dmc reweight configs=T, [HOST] may also contain DMC configurations which are reweighted to a new wave function and EBEST shifted by the current energy. .
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