Hi, I am having trouble using the pair_style table command. Here are the first few lines from my table file:
# Modified Morse potential based on Cherns et al (1997), from Grout and Lidiard paper (2008) for Au
GOLD
10000
1 0.00039755 5622.79 17970.7
2 0.0007951 5615.65 17948
3 0.00119265 5608.52 17925.3
...
So, "GOLD" would be my keyword. In my input file, I have:
pair_style table linear 1000
pair_coeff * * Au.Cherns.Morse GOLD
However, when I try to run the simulation, I get this:
Created 256 atoms
WORD: 10000
ERROR on proc 0: Invalid keyword in pair table parameters
It seems to me that the keyword matches, but maybe this is not the error... LAMMPS is definitely reading the right file, because I can change the N (10000) to some arbitrary number, and it shows up after 'WORD' in the output. An additional question: is the N value in the pair_style line supposed to equal the N value calculated in the table file? Thanks for your help,
Erin