Eph groupID
Revision as of 13:48, 6 November 2023 by Uttiyo (talk | contribs) (Created page with "<code>eph_groupID</code> sets the group of atoms for which the nonadiabatic_processes will be applied during the simulation. === Summary === {| class="wikitable" |+ Summa...")
eph_groupID sets the group of atoms for which the nonadiabatic_processes will be applied during the simulation.
Summary
| Required/optional | Type | Accepted values | Default | See also |
|---|---|---|---|---|
| Optional | String | Any valid group ID | all (for all atoms) | nonadiabatic_processes, adapt_time_groupID, eel_groupID, thermostat_groupID, optimize_groupID, make_group
|
Example
make_group = grp1 block 6 2.0 30.0 2.0 30.0 2.0 30.0
nonadiabatic_processes = .true. eph_groupID = grp1
