Difference between revisions of "Eph md last step"

From TurboGAP
Jump to navigation Jump to search
(Created page with "<code>eph_md_last_step</code> sets the value of last MD step of a previous run. It is used only in case of restarting a simulation. This value is used while writing data to th...")
 
Line 17: Line 17:
 
| 0
 
| 0
 
| <code>[[nonadiabatic_processes]]</code>, <code>[[eph_freq_mesh_Tout]]</code>, <code>[[eph_E_prev_time]]</code>, <code>[[eph_md_prev_time]]</code>
 
| <code>[[nonadiabatic_processes]]</code>, <code>[[eph_freq_mesh_Tout]]</code>, <code>[[eph_E_prev_time]]</code>, <code>[[eph_md_prev_time]]</code>
|
+
| When restarting a eph model simulation with <code>eph_fdm</code> option remember to also put correct mesh values from last run into the present file in <code>eph_T_infile</code>. 
 
|}
 
|}

Revision as of 13:36, 10 April 2024

eph_md_last_step sets the value of last MD step of a previous run. It is used only in case of restarting a simulation. This value is used while writing data to the electronic temperature map output file.

Summary

Summary for eph_md_last_step keyword
Required/optional Type Accepted values Default See also Remarks
Optional Integer 100, 1000, etc. 0 nonadiabatic_processes, eph_freq_mesh_Tout, eph_E_prev_time, eph_md_prev_time When restarting a eph model simulation with eph_fdm option remember to also put correct mesh values from last run into the present file in eph_T_infile.