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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8636 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-08-13 23:49:26 +00:00
parent e69d5dacc9
commit a2f01ca576
11 changed files with 1697 additions and 7 deletions
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9
examples/COUPLE/fortran/README
View File

@ -1,9 +1,8 @@
libfwrapper.c is a C file that wraps the LAMMPS library API
in src/library.h so that it can be called from Fortran.
See the couple/simple/simple.f90 program for an example
of a Fortran code that does this.
See the couple/simple/simple.f90 program for an example of a Fortran
code that does this.
See the README file in that dir for instructions
on how to build a Fortran code that uses this
wrapper and links to the LAMMPS library.
See the README file in that dir for instructions on how to build a
Fortran code that uses this wrapper and links to the LAMMPS library.

9
examples/COUPLE/fortran/libfwrapper.c
View File

@ -22,7 +22,7 @@
#include "library.h" /* this is a LAMMPS include file */
/* wrapper for creating a lammps instance from fortran.
since fortran has no simple way to emit a c-compatible
since fortran has no simple way to emit a C-compatible
argument array, we don't support it. for simplicity,
the address of the pointer to the lammps object is
stored in a 64-bit integer on all platforms. */
@ -109,6 +109,8 @@ void lammps_get_natoms_(int64_t *ptr, MPI_Fint *natoms)
/* wrapper to copy coordinates from lammps to fortran */
/* NOTE: this is now out-of-date, needs to be updated to lammps_gather_atoms()
void lammps_get_coords_(int64_t *ptr, double *coords)
{
void *obj;
@ -117,8 +119,12 @@ void lammps_get_coords_(int64_t *ptr, double *coords)
lammps_get_coords(obj,coords);
}
*/
/* wrapper to copy coordinates from fortran to lammps */
/* NOTE: this is now out-of-date, needs to be updated to lammps_scatter_atoms()
void lammps_put_coords_(int64_t *ptr, double *coords)
{
void *obj;
@ -127,3 +133,4 @@ void lammps_put_coords_(int64_t *ptr, double *coords)
lammps_put_coords(obj,coords);
}
*/