Completely agree with you. My goal here was to validate the general
expression of the conditions of application of the boost potential
(deltaV(r)) and the expression of the boost potential in the cases where
iamd=1 or 3 . I did not mention the case of windowed aMD or when w_amd .ne.
0, because the general expressions are the same expect the fact that
E_total_boost
is multiplied by windowed_factor when w_amd .ne. 0 is verified, and
the sign of EthreshP - total energy (versus total energy - EthreshP).
Thank you for all your comments. All other remarks are welcome.
Regards, Sonia.
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Received on Mon Jun 12 2017 - 08:00:03 PDT
