* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
+
+#include "geminate.h"
#include <math.h>
#include <stdlib.h>
-#include "typedefs.h"
-#include "gromacs/utility/smalloc.h"
-#include "vec.h"
-#include "geminate.h"
-
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/math/vec.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/gmxomp.h"
+#include "gromacs/utility/smalloc.h"
static void missing_code_message()
{
bBad = FALSE;
/* An acf of binary data must be one at t=0. */
- if (abs(ct[0]-1.0) > 1e-6)
+ if (fabs(ct[0]-1.0) > 1e-6)
{
ct[0] = 1.0;
- fprintf(stderr, "|ct[0]-1.0| = %1.6d. Setting ct[0] to 1.0.\n", abs(ct[0]-1.0));
+ fprintf(stderr, "|ct[0]-1.0| = %1.6f. Setting ct[0] to 1.0.\n", fabs(ct[0]-1.0));
}
for (i = 0; i < len; i++)