Tersoff potentials with many elements

Michele Gusso michel... at enea.it
Fri Feb 3 13:17:39 UTC 2017

Dear developers,

it seems  that there is a bug when using tersoff potentials with more than 
one element.
The SUBROUTINE read_tersoff_section in file  force_fields_input.F fills the 
cp2k variables of the various potentials pairs,
always with the same (i.e. the first) data set of tersoff potentials read 
from the input file.
I think that the lines of the kind:
CALL section_vals_val_get(tersoff_section, "A", 
should be changed in 
CALL section_vals_val_get(tersoff_section, "A", i_rep_section=isec,

Could you please check if I am correct ? (note that if this is correct the 
same should be done also for siepmann potentials).
I have attached the input file I have used for this test.
Thank you for your kind help.

Best regards,
Michele Gusso
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