IRC VNORM0: Difference between revisions
(Created page with "{{DISPLAYTITLE:IRC_VNORM0}} {{TAGDEF|IRC_VNORM0|real | 0.002}} Description: in the damped velocity Verlet algorithm for the {{TAG|IRC calculations}}, the damping is realized...") |
No edit summary |
||
| Line 3: | Line 3: | ||
Description: in the damped velocity Verlet algorithm for the {{TAG|IRC calculations}}, the damping is realized via rescaling the velocity vector to a constant value (in Å/fs) defined via the parameter {{TAG|IRC_VNORM0}}. | Description: in the damped velocity Verlet algorithm for the {{TAG|IRC calculations}}, the damping is realized via rescaling the velocity vector to a constant value (in Å/fs) defined via the parameter {{TAG|IRC_VNORM0}}. | ||
== Related tags and articles == | |||
{{TAG|IRC calculations}}, | |||
{{TAG|IRC_DIRECTION }}, | |||
{{TAG|IRC_STOP}}, | |||
{{TAG|IRC_DELTA0}}, | |||
{{TAG|IRC_MINSTEP}}, | |||
{{TAG|IRC_MAXSTEP}}, | |||
{{TAG|IRC_VNORM0}} | |||
Revision as of 10:33, 6 November 2023
IRC_VNORM0 = real
Default: IRC_VNORM0 = 0.002
Description: in the damped velocity Verlet algorithm for the IRC calculations, the damping is realized via rescaling the velocity vector to a constant value (in Å/fs) defined via the parameter IRC_VNORM0.
Related tags and articles
IRC calculations, IRC_DIRECTION , IRC_STOP, IRC_DELTA0, IRC_MINSTEP, IRC_MAXSTEP, IRC_VNORM0