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multiscale
lammps
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b395ef00
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b395ef00
authored
7 years ago
by
Richard Berger
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Update tutorial_pylammps.txt
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@@ -48,21 +48,17 @@ System-wide Installation :h3
...
@@ -48,21 +48,17 @@ System-wide Installation :h3
Step 1: Building LAMMPS as a shared library :h4
Step 1: Building LAMMPS as a shared library :h4
To use LAMMPS inside of Python it has to be compiled as shared library. This
To use LAMMPS inside of Python it has to be compiled as shared library. This
library is then loaded by the Python interface. In this example, we use the
library is then loaded by the Python interface. In this example we enable the
Make.py utility to create a Makefile with C++ exceptions, PNG, JPEG and FFMPEG
MOLECULE package and compile LAMMPS with C++ exceptions, PNG, JPEG and FFMPEG
output support enabled. Finally, we also enable the MOLECULE package and compile
output support enabled.
using the generated {auto} Makefile.
cd $LAMMPS_DIR/src :pre
cd $LAMMPS_DIR/src :pre
# generate custom Makefile
python Make.py -jpg -png -s ffmpeg exceptions -m mpi -a file :pre
# add packages if necessary
# add packages if necessary
make yes-MOLECULE :pre
make yes-MOLECULE :pre
# compile shared library using Makefile
# compile shared library using Makefile
make mode=shlib
auto
:pre
make
mpi
mode=shlib
LMP_INC="-DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_FFMPEG -DLAMMPS_EXCEPTIONS" JPG_LIB="-lpng"
:pre
Step 2: Installing the LAMMPS Python package :h4
Step 2: Installing the LAMMPS Python package :h4
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