I’m having trouble accessing the EXTRA-PAIR package.
LAMMPS version 2Aug2023, on a Mac (Mac OSX 13.6.7) and gcc from ports.
I use cmake to build and include EXTRA-PAIR:
cmake -D WITH_JPEG=no -D WITH_PNG=no -D LAMMPS_EXCEPTIONS=on -D PKG_MANYBODY=on -D PKG_EXTRA-PAIR=on -D BUILD_SHARED_LIBS=on -D BUILD_MPI=on -D BUILD_OMP=off -C …/cmake/presets/gcc.cmake …/cmake
As it’s making, the compiler reports that it compiled the .cpp files in EXTRA-PAIR but when
I try to run (for instance) in the input file
pair_style born/gauss
LAMMPS stops and says that it does not recognize that pair_style. Also, when I ask for the build info from the -h in-line option
./lmp -h
it lists the active pair_styles but does not list ANY of those in the EXTRA-PAIR directory.
(It does have those in the MANYBODY directory).
Here are the pair-styles it recognizes:
- Pair styles:
adp airebo airebo/morse atm bop
born buck buck/coul/cut comb comb3
coul/cut coul/debye coul/dsf coul/wolf reax
dsmc eam eam/alloy eam/cd eam/cd/old
eam/fs eam/he edip edip/multi eim
extep gw gw/zbl hybrid hybrid/overlay
hybrid/scaled lcbop lj/cut lj/cut/coul/cut lj/expand
local/density meam/spline meam/sw/spline morse nb3b/harmonic
polymorphic rebo soft sw sw/angle/table
sw/mod table tersoff tersoff/mod tersoff/mod/c
tersoff/table tersoff/zbl threebody/table vashishta vashishta/table
yukawa zbl zero