Miguel Caro at 06:34, 9 August 2021

2021-08-09T06:34:22Z

Miguel Caro: Created page with "`write_thermo` determines how often (every how many time steps) thermodynamic information is written to file `thermo.log` during molecular dynamics...."

2021-08-09T06:34:06Z

Created page with "<code>write_thermo</code> determines how often (every how many time steps) thermodynamic information is written to file <code>thermo.log</code> during molecular dynamics...."

New page

<code>write_thermo</code> determines how often (every how many time steps) thermodynamic information is written to file <code>thermo.log</code> during [[molecular dynamics]].

=== Summary ===

{| class="wikitable"
|+ Summary for <code>write_thermo</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
| Integer
| Any positive integer
| 1
| [[writeouts]], <code>[[write_xyz]]</code>
|}

=== Example ===

[[write_log]] = 10 # writes out thermodynamic information every 10 time steps
[[write_xyz]] = 100 # writes out trajectory information every 100 time steps

@@ Line 20: / Line 20: @@
 === Example ===
-  [[write_log]] = 10 # writes out thermodynamic information every 10 time steps
+  [[write_thermo]] = 10 # writes out thermodynamic information every 10 time steps
   [[write_xyz]] = 100 # writes out trajectory information every 100 time steps

Write thermo - Revision history

Miguel Caro at 06:34, 9 August 2021

Miguel Caro: Created page with "write_thermo determines how often (every how many time steps) thermodynamic information is written to file thermo.log during molecular dynamics...."

Miguel Caro: Created page with "`write_thermo` determines how often (every how many time steps) thermodynamic information is written to file `thermo.log` during molecular dynamics...."