Related inputs for ionmov 12 (isokinetic MD)
Posted: Tue Mar 01, 2016 1:27 pm
Hello,
in the description of the input ionmov=12 (MD for isokinetic ensemble),
the related inputs dtion and mdtemp are crossed out along with unrelated friction coefficient:
http://www.abinit.org/doc/helpfiles/for ... tml#ionmov
Is that a misprint, or what does that mean?
PS As I've tested, mdtemp doesn't affect kinetic energy, which corresponds to room temperature only
in the description of the input ionmov=12 (MD for isokinetic ensemble),
the related inputs dtion and mdtemp are crossed out along with unrelated friction coefficient:
http://www.abinit.org/doc/helpfiles/for ... tml#ionmov
Is that a misprint, or what does that mean?
PS As I've tested, mdtemp doesn't affect kinetic energy, which corresponds to room temperature only