rk-lindsey/chimes_calculator

python example fails for 3-body parameters

mhellstr opened this issue · 2 comments

On the development version:
The example in chimesFF/examples/python works, but if I try to switch out the parameter set to any parameters including 3-body terms I get
Segmentation fault (core dumped)

Example: published_params.liqC.2b.cubic.txt works
Example: published_params.CHON.2+3b.Tersoff.txt gives Segmentation fault

using the structure in serial_interface/tests/configurations/liqC.2.5gcc_6000K.OUTCAR_#000.xyz

(v1.0.2 does not have the same problem)

@mhellstr Thank you for bringing this to our attention! There's a fix accessible in the "fix_expert_mode_examples" branch - it will be incorporated into the main branch soon.