Adapt tstep interval

From TurboGAP
Revision as of 13:40, 6 November 2023 by Uttiyo (talk | contribs) (→‎Summary)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

adapt_tstep_interval sets the interval of MD steps at which the adaptive time algorithm will be called to check if the current time-step is according to the specified maximum allowed displacement adapt_xmax and maximum allowed energy transfer adapt_emax per time-step criteria.

Summary

Summary for adapt_tstep_interval keyword
Required/optional Type Accepted values Default See also Remarks
Required Integer Any integer 1 adapt_time_groupID, adaptive_time, adapt_tmin, adapt_tmax, adapt_xmax, adapt_emax Optimum interval which is neither too frequent nor too infrequent should be used.