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Improved portability of ReaxFF 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2838 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps 2009-06-02 18:00:10 +00:00
parent 2c6c87a168
commit b27c1ccccf
1 changed files with 16 additions and 8 deletions

24
src/REAX/pair_reax_fortran.h
View File

@ -12,20 +12,28 @@
------------------------------------------------------------------------- */
// machine-specific C++ -> Fortran calling syntax
// CONS(a,b) should return ab, the concatenation of its arguments
// It defines the FORTRAN macro for converting variable and function
// names from FORTRAN to C. Different compilers do this in different
// ways. The default is add an underscore to the lower case string.
// Other definitions of the macro can be invoked by defining the
// corresponding macro at compile time using -D e.g. -D_IBM
// CONS(a,b) should return ab, the concatenation of its arguments.
// If compiler is using strict ISO C standards, the ## works.
// Otherwise try the old /**/ trick and test.
// If that fails, you will need to figure out
// a definition for the FORTRAN macro that works on your machine.
#if __STDC__
#define CONS(a,b) a##b
#else
#define CONS(a,b) a/**/b
#warning "The following declaration is a test of the CONS macro."
#warning "If it fails with an error, pair_reax_fortran.h must be modified by hand."
static int my_apples_my_oranges = 1;
static int my_applesoroanges = CONS(my_apples,_my_oranges);
#endif
#define CONS(string1,string2)
#ifndef string1string2
#error "Unable to create concatenation macro. You must modify pair_reax_fortran.h by hand."
#endif
#ifdef _ARDENT
#define FORTRAN(lcname,ucname) ucname
#endif
@ -173,7 +181,7 @@ extern struct {
// external routines provided by Fortran library
extern "C" void FORTRAN(readc,READC)();
extern "C" void FORTRAN(init,INIT)();
extern "C" void FORTRAN(reaxinit,REAXINIT)();
extern "C" void FORTRAN(ffinpt,FFINPT)();
extern "C" void FORTRAN(tap7th,TAP7TH)();
extern "C" void FORTRAN(taper,TAPER)(double*,double*);