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update README in examples/COUPLE/simple

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Axel Kohlmeyer
2020-09-24 02:17:11 -04:00
parent ac78f8f1e1
commit 02c1480546
1 changed files with 6 additions and 8 deletions
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examples/COUPLE/simple/README
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@ -11,10 +11,9 @@ simple.f90 is the Fortran driver
The 3 codes do the same thing, so you can compare them to see how to
drive LAMMPS from each language. See python/example/simple.py
to do something similar from Python. The Fortran driver requires an
additional wrapper library that interfaces the C interface of the
LAMMPS library to Fortran and also translates the MPI communicator
from Fortran to C.
to do something similar from Python. The Fortran driver requires a
Fortran module that uses the Fortran 03 ISO_C_BINDING module to
interface the LAMMPS C library functions to Fortran.
First build LAMMPS as a library (see examples/COUPLE/README), e.g.
@ -64,10 +63,9 @@ The C driver is calling C-style routines in the src/library.cpp file
of LAMMPS. You could add any functions you wish to this file to
manipulate LAMMPS data however you wish.
The Fortran driver is using the same C-style routines, but requires an
additional wrapper to make them Fortran callable. Only a subset of the
library functions are currently wrapped, but it should be clear how to
extend the wrapper if desired.
The Fortran driver is using the Fortran 03 module which uses a derived
type with type bound subroutines. Only a small subset of the C library
functions are currently accessible through the Fortran module.
The C++ driver does the same thing, except that it instantiates LAMMPS
as an object first. Some of the functions in src/library.cpp can be