IRC DIRECTION: Difference between revisions
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Revision as of 10:02, 6 November 2023
IRC_DIRECTION = -1 | 1 |
Default: IRC_DIRECTION = 1
Description: TI_LAMBDA defines the coupling parameter [math]\displaystyle{ \lambda }[/math] used in Thermodynamic integration with harmonic reference. The value of [math]\displaystyle{ \lambda }[/math] must be from the inverval [math]\displaystyle{ \langle 0, 1 \rangle }[/math].