[lammps-users] Source code for AIREBO

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1

Dear all.

Let me ask you a question now right off the bat.
I have two questions for LAMMPS source code.

First, it is at line 995 in src/MANYBODY/pair_airebo.cpp.
In source code,
cw2 = (.5*(1.0-cw)); ,
but I think that
cw2 = (.5*(1.0+cw)); .

Second, it is at line 3070 in src/MANYBODY/pair_airebo.cpp.
In source code,
g = g2+cut*(g1-g2); ,
but I think that
g = g1+cut*(g2-g1); .

Please be so good as to answer my questions.

2

Please explain why you think those changes
are needed.

Steve

2010/12/5 <[email protected]...>:

3

These line numbers below don't appear to match
the current (Dec2010) version of AIREBO in
pair_airebo.cpp. Can you check the current
version and tell me the line numbers and make
sure something else hasn't changed?

Thanks,
Steve

2010/12/5 <[email protected]...>:

4

I think he means lines 1041 and 3116 respectively in current version.