IRC_DIRECTION
IRC_DIRECTION = -1 | 1 |
Default: IRC_DIRECTION = 1
Description: TI_LAMBDA defines the coupling parameter used in Thermodynamic integration with harmonic reference. The value of must be from the inverval .
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IRC_DIRECTION = -1 | 1 |
Default: IRC_DIRECTION = 1
Description: TI_LAMBDA defines the coupling parameter used in Thermodynamic integration with harmonic reference. The value of must be from the inverval .