Optimize groupID - Revision history

Uttiyo at 13:29, 6 November 2023

2023-11-06T13:29:51Z

Uttiyo at 13:26, 6 November 2023

2023-11-06T13:26:56Z

Uttiyo at 13:25, 6 November 2023

2023-11-06T13:25:38Z

Uttiyo at 13:24, 6 November 2023

2023-11-06T13:24:45Z

Uttiyo: Created page with "`optimize_groupID` sets the group of atoms for which the optimization by Velocity-Verlet algorithm will be performed during the simulation. === Summary === {| clas..."

2023-11-06T13:24:30Z

Created page with "<code>optimize_groupID</code> sets the group of atoms for which the optimization by Velocity-Verlet algorithm will be performed during the simulation. === Summary === {| clas..."

New page

<code>optimize_groupID</code> sets the group of atoms for which the optimization by Velocity-Verlet algorithm will be performed during the simulation.
=== Summary ===

{| class="wikitable"
|+ Summary for <code>thermostat_groupID</code> keyword
! style="text-align:left;"| Required/optional
! style="text-align:left;"| Type
! style="text-align:left;"| Accepted values
! style="text-align:left;"| Default
! style="text-align:left;"| See also
|-
| Optional
| String
| Any valid group ID
| all (for all atoms)
| <code>[[thermostat_groupID]]</code>, <>[[eel_groupID]]</code>, <code>[[make_group]]</code>
|}

=== Example ===

[[make_group]] = grp1 block 6 2.0 30.0 2.0 30.0 2.0 30.0

[[optimize_groupID]] = grp1

← Older revision		Revision as of 13:26, 6 November 2023
Line 1:		Line 1:
−	<code>optimize_groupID</code> sets the group of atoms for which the optimization by Velocity-Verlet algorithm will be performed during the simulation.	+	<code>optimize_groupID</code> sets the group of atoms for which the optimization by Velocity Verlet molecular dynamics algorithm will be performed during the simulation.
	=== Summary ===		=== Summary ===

@@ Line 14: / Line 14: @@
 | Any valid group ID
 | all (for all atoms)
-| <code>[[thermostat_groupID]]</code>, <code>[[eel_groupID]]</code>, <code>[[make_group]]</code>
+| <code>[[optimize]]</code><code>[[thermostat_groupID]]</code>, <code>[[eel_groupID]]</code>, <code>[[make_group]]</code>
 |}