Difference between revisions of "Kmcos"

Latest revision as of 13:54, 30 April 2024

Kinetic Monte Carlo of Systems (kmcos) is designed for lattice based Kinetic Monte Carlo simulations to understand chemical kinetics and mechanisms.

$ module load ubuntu/20.04

$ kmcos <options>

Usage and options:

$ kmcos --help

@@ Line 1: / Line 1: @@
-[[Category:Software]][[Category:Linux]]
+[[Category:Software]][[Category:Chemistry]]
 {|<!--CONFIGURATION: REQUIRED-->
 |{{#vardefine:app|kmcos}}
@@ Line 5: / Line 5: @@
 <!--CONFIGURATION: OPTIONAL (|1}} means it's ON)-->
 |{{#vardefine:conf|}}           <!--CONFIGURATION-->
-|{{#vardefine:exe|}}            <!--ADDITIONAL INFO-->
+|{{#vardefine:exe|1}}            <!--ADDITIONAL INFO-->
 |{{#vardefine:job|}}            <!--JOB SCRIPTS-->
 |{{#vardefine:policy|}}         <!--POLICY-->
@@ Line 18: / Line 18: @@
 {{App_Description|app={{#var:app}}|url={{#var:url}}|name={{#var:app}}}}|}}
-kmcos: Kinetic Monte Carlo of Systems
+Kinetic Monte Carlo of Systems (kmcos) is designed for lattice based Kinetic Monte Carlo simulations to understand chemical kinetics and mechanisms.
-kmcos is designed for lattice based Kinetic Monte Carlo simulations to understand chemical kinetics and mechanisms. It has been used to produce more than 10 scientific publications. Links to tutorials and other documentation are below.
-Usage:
-$ ml ubuntu/20.04
-$ kmcos <options>
-$ kmcos --help
-(to see what options are available)
 <!--Modules-->
@@ Line 48: / Line 33: @@
 {{#if: {{#var: exe}}|==Additional Information==
-WRITE_ADDITIONAL_INSTRUCTIONS_ON_RUNNING_THE_SOFTWARE_IF_NECESSARY
+$ module load ubuntu/20.04
+$ kmcos <options>
+Usage and options:
+$ kmcos --help
 |}}