bug in pair_comb3.cpp

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1

LAMMPS (6 Nov 2015-ICMS) cannot find ffield.comb3 through LAMMP_POTENTIALS system variable in Windows. I think the error is in file pair_comb3.cpp: line 607

fp = fopen(file,“r”);

should be replaced with something like

fp = force->open_potential(file);

which is from pair_comb.cpp file (and ffield.comb is accessible through LAMMP_POTENTIALS system variable).

2

LAMMPS (6 Nov 2015-ICMS) cannot find ffield.comb3 through LAMMP_POTENTIALS
system variable in Windows. I think the error is in file pair_comb3.cpp:
line 607

​thanks for reporting this. this is not so much a bug, but a missing
feature. ​the support for the LAMMPS_POTENTIAL environment variable is
usually added on by the LAMMPS developers and typically not included by the
original contributors of code. in the case of COMB3 this change was
implemented for "lib.comb3", but overlooked for "ffield.comb3".

i've included the change in LAMMPS-ICMS and the next set of windows
executables, most likely posted on monday dec 14th will include it.

thanks again,
     axel.