AIREBO potential not compatible with new version of OpenKIM

OpenKIM
1

Dear all,

The AIREBO potential is not available in GULP, so I try to use this potential via OpenKIM with GULP.
However, the portable model ‘model_ArCHHeXe_BOP_AIREBO__MO_154399806462_001’ for the AIREBO potentail is only compatible with KIM API version 1.6. Unfortunately, GULP 6.0 that I use needs OpenKIM version above 2.0. Does anyone have any ideas to address this issue?

Best regards,
Zhuangli Cai

2

Hi Zhuangli,

Unfortunately AIREBO is not currently available in OpenKIM. The model you refer to is an older version that is no longer supported. There are plans to port a newer REBO/AIREBO implementation to OpenKIM in the future, but no date has been set.

Best wishes,

Ellad Tadmor

3

Hi Ellad,

Thank you for your reply. I’m looking forward to the newer REBO/AIREBO implementation.

Best wishes,
Zhuangli Cai