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…teps. Also fix compilation warnings with ommstuff.cpp
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a modified version of the iELSCF method is now in the main branch of TINKER 8, as of December 8th, 2016. To access, use the keyword "POLAR-PREDICT IEL". Current version uses a Berendsen thermostat for the auxiliary dipoles, and only works with the Verlet and Beeman integrators. |
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