SHAKETOLSOF: Revision history

Diff selection: Mark the radio buttons of the revisions to compare and hit enter or the button at the bottom.
Legend: (cur) = difference with latest revision, (prev) = difference with preceding revision, m = minor edit.

14 February 2026

  • curprev 10:1210:12, 14 February 2026‎ Tbucko talk contribs‎ 845 bytes +845‎ Created page with "{{TAGDEF|SHAKETOLSOFT|[Real]| {{TAG|SHAKETOL}}}} Description: {{TAG|SHAKETOLSOFT}} specifies the soft tolerance for the SHAKE algorithm (in case VASP was compiled with -Dtbdyn). ---- Constrained molecular dynamics ({{TAG|MDALGO}}=1 {{!}} 2 {{!}} 3 {{!}} 4 {{!}} 5) are performed using a SHAKE algorithm. {{TAG|SHAKETOL}} specifies the tolerance for the SHAKE algorithm. If the error for all geometric constraints does not..."
Retrieved from "https://vasp.at/wiki/SHAKETOLSOF"