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#define OOPSE_VERSION_MAJOR 3 |
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#define OOPSE_VERSION_MINOR 1 |
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#define OOPSE_VERSION_TINY 0 |
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/* The version of Open Babel */ |
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#define BABEL_VERSION "2.0.0rc1" |
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#define OPENMD_VERSION_MAJOR 1 |
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#define OPENMD_VERSION_MINOR 0 |
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#define OPENMD_VERSION_TINY 2 |
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#define MK_STR(s) # s |
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#define STR_DEFINE(t, s) t = MK_STR(s) |
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/* The file extension used for shared modules */ |
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#undef MODULE_EXTENSION |
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/* Is defined if OOPSE should be compiled with single precision arithmetic. */ |
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/* Is defined if OpenMD should be compiled with single precision arithmetic. */ |
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#undef SINGLE_PRECISION |
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/* The CGAL version number. */ |
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#undef CGAL_VERSION |
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/* Define to dummy `main' function (if any) required to link to the Fortran |
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libraries. */ |
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#undef FC_DUMMY_MAIN |
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/* define if fstream::open() accepts third parameter. */ |
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#undef FSTREAM_OPEN_PROT |
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/* Is defined if the CGAL library is available. */ |
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#undef HAVE_CGAL |
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/* Is defined if the qhull library is available. */ |
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#undef HAVE_QHULL |
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/* Define to 1 if the system has the type `clock_t'. */ |
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#undef HAVE_CLOCK_T |
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/* Define to 1 if you have the `floor' function. */ |
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#undef HAVE_FLOOR |
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/* Define to 1 if you have the <fstream> header file. */ |
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#undef HAVE_FSTREAM |
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/* define if we have fstream::attach(). */ |
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#undef HAVE_FSTREAM_ATTACH |
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/* Define to 1 if you have the <fstream.h> header file. */ |
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#undef HAVE_FSTREAM_H |
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/* define if we have fstream::open(). */ |
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#undef HAVE_FSTREAM_OPEN |
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/* Define to 1 if you have the <getopt.h> header file. */ |
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#undef HAVE_GETOPT_H |
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/* Define to 1 if you have the `getopt_long' function. */ |
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#undef HAVE_GETOPT_LONG |
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/* Define to 1 if you have the `getpagesize' function. */ |
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#undef HAVE_GETPAGESIZE |
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/* Define to 1 if you have the <inttypes.h> header file. */ |
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#undef HAVE_INTTYPES_H |
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/* Define to 1 if you have the <iomanip> header file. */ |
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#undef HAVE_IOMANIP |
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/* Define to 1 if you have the <iomanip.h> header file. */ |
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#undef HAVE_IOMANIP_H |
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/* Define to 1 if you have the <iostream> header file. */ |
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#undef HAVE_IOSTREAM |
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/* Define to 1 if you have the <iostream.h> header file. */ |
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#undef HAVE_IOSTREAM_H |
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/* Define to 1 if you have the <libintl.h> header file. */ |
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#undef HAVE_LIBINTL_H |
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/* Define to 1 if you have the `m' library (-lm). */ |
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#undef HAVE_LIBM |
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/* Define to 1 if you have the `z' library (-lz). */ |
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#undef HAVE_LIBZ |
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to 0 otherwise. */ |
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#undef HAVE_MALLOC |
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/* Define to 1 if you have the <math.h> header file. */ |
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#undef HAVE_MATH_H |
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/* Define to 1 if you have the `memchr' function. */ |
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#undef HAVE_MEMCHR |
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/* Define to 1 if you have the `memmove' function. */ |
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#undef HAVE_MEMMOVE |
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/* Define to 1 if you have the <memory.h> header file. */ |
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#undef HAVE_MEMORY_H |
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/* Define to 1 if you have the `memset' function. */ |
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#undef HAVE_MEMSET |
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/* have mpif.h */ |
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#undef HAVE_MPIF_H |
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/* have mpi.h */ |
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#undef HAVE_MPI_H |
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/* define if the compiler implements namespaces */ |
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#undef HAVE_NAMESPACES |
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/* Define to 1 if you have the `pow' function. */ |
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#undef HAVE_POW |
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and to 0 otherwise. */ |
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#undef HAVE_REALLOC |
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/* Define to 1 if you have the `rint' function. */ |
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#undef HAVE_RINT |
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/* Define to 1 if you have the `select' function. */ |
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#undef HAVE_SELECT |
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/* Define to 1 if you have the `snprintf' function. */ |
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#undef HAVE_SNPRINTF |
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/* Define to 1 if you have the `sqrt' function. */ |
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#undef HAVE_SQRT |
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/* Define to 1 if you have the `sranddev' function. */ |
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#undef HAVE_SRANDDEV |
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/* Define to 1 if you have the <sstream> header file. */ |
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#undef HAVE_SSTREAM |
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/* Define to 1 if stdbool.h conforms to C99. */ |
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#undef HAVE_STDBOOL_H |
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/* Define to 1 if you have the <stddef.h> header file. */ |
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#undef HAVE_STDDEF_H |
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/* Define to 1 if you have the <stdint.h> header file. */ |
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#undef HAVE_STDINT_H |
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/* Define to 1 if you have the <stdio.h> header file. */ |
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#undef HAVE_STDIO_H |
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/* Define to 1 if you have the <stdlib.h> header file. */ |
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#undef HAVE_STDLIB_H |
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/* define if C++ iostream is in namespace std. */ |
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#undef HAVE_STD_IOSTREAM |
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|
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/* define if C++ Standard Template Library is in namespace std */ |
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#undef HAVE_STD_STL |
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|
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/* define if the compiler supports Standard Template Library */ |
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#undef HAVE_STL |
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/* Define to 1 if you have the `strcasecmp' function. */ |
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#undef HAVE_STRCASECMP |
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| 127 |
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/* Define to 1 if you have the `strdup' function. */ |
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#undef HAVE_STRDUP |
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/* Define to 1 if you have the `strftime' function. */ |
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#undef HAVE_STRFTIME |
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/* Define to 1 if you have the `stricmp' function. */ |
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#undef HAVE_STRICMP |
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/* Define to 1 if you have the `strnicmp' function. */ |
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#undef HAVE_STRNICMP |
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/* Define to 1 if you have the `strrchr' function. */ |
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#undef HAVE_STRRCHR |
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| 145 |
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/* Define to 1 if you have the `strstr' function. */ |
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#undef HAVE_STRSTR |
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|
| 237 |
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/* Define to 1 if you have the <strstream> header file. */ |
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– |
#undef HAVE_STRSTREAM |
| 239 |
– |
|
| 240 |
– |
/* Define to 1 if you have the <strstream.h> header file. */ |
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– |
#undef HAVE_STRSTREAM_H |
| 242 |
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|
| 148 |
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/* Define to 1 if you have the `strtol' function. */ |
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#undef HAVE_STRTOL |
| 150 |
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| 193 |
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/* Define to 1 if you have the `table' function. */ |
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#undef HAVE_TABLE |
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|
| 291 |
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/* Define to 1 if you have the <time.h> header file. */ |
| 292 |
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#undef HAVE_TIME_H |
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|
| 196 |
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/* Define to 1 if you have the <unistd.h> header file. */ |
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#undef HAVE_UNISTD_H |
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/* Define to 1 if you have the <zlib.h> header file. */ |
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#undef HAVE_ZLIB_H |
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– |
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| 199 |
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/* Define to 1 if the system has the type `_Bool'. */ |
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#undef HAVE__BOOL |
| 201 |
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|
| 202 |
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/* Define if you have the _system_configuration variable. */ |
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#undef HAVE__SYSTEM_CONFIGURATION |
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|
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/* Used to export symbols for DLL / shared library builds */ |
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– |
#undef OBAPI |
| 308 |
– |
|
| 205 |
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/* Define to the address where bug reports for this package should be sent. */ |
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#undef PACKAGE_BUGREPORT |
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|
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/* needed by DEC/Compaq/HP cxx to activate ANSI standard iostream. */ |
| 245 |
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#undef __USE_STD_IOSTREAM |
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|
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/* Define to __FUNCTION__ or "" if `__func__' does not conform to ANSI C. */ |
| 352 |
– |
#undef __func__ |
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– |
|
| 247 |
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/* Define to empty if `const' does not conform to ANSI C. */ |
| 248 |
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#undef const |
| 249 |
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|
| 262 |
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/* Define to rpl_realloc if the replacement function should be used. */ |
| 263 |
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#undef realloc |
| 264 |
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|
| 265 |
< |
/* Define to equivalent of C99 restrict keyword, or to nothing if this is not |
| 373 |
< |
supported. Do not define if restrict is supported directly. */ |
| 374 |
< |
#undef restrict |
| 375 |
< |
|
| 376 |
< |
/* Define to `unsigned' if <sys/types.h> does not define. */ |
| 265 |
> |
/* Define to `unsigned int' if <sys/types.h> does not define. */ |
| 266 |
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#undef size_t |
| 267 |
|
|
| 268 |
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#ifdef SINGLE_PRECISION |
| 269 |
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typedef float RealType; |
| 270 |
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#ifdef IS_MPI |
| 271 |
|
#define MPI_REALTYPE MPI_FLOAT |
| 272 |
+ |
#define REALTYPE FLOAT |
| 273 |
+ |
#define REALTYPE_INT FLOAT_INT |
| 274 |
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#endif |
| 275 |
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#else |
| 276 |
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typedef double RealType; |
| 277 |
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#ifdef IS_MPI |
| 278 |
|
#define MPI_REALTYPE MPI_DOUBLE |
| 279 |
+ |
#define REALTYPE DOUBLE |
| 280 |
+ |
#define REALTYPE_INT DOUBLE_INT |
| 281 |
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#endif |
| 282 |
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#endif |
