* 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 <math.h>
#include <stdio.h>
#include <stdlib.h>
-#include <ctype.h>
-#include <math.h>
-#include "copyrite.h"
-#include "typedefs.h"
-#include "string2.h"
+#include "gromacs/legacyheaders/copyrite.h"
+#include "gromacs/legacyheaders/typedefs.h"
#include "gstat.h"
-#include "smalloc.h"
-#include "macros.h"
-#include "xvgr.h"
+#include "gromacs/utility/smalloc.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/fileio/xvgr.h"
+#include "gromacs/legacyheaders/viewit.h"
#include "correl.h"
#include "gmx_ana.h"
-#include "gmx_fatal.h"
+#include "gromacs/utility/fatalerror.h"
-#include "gromacs/fileio/futil.h"
+#include "gromacs/utility/futil.h"
#include "gromacs/math/gmxcomplex.h"
#include "gromacs/math/utilities.h"
}
}
- tmpfp = ffopen("integral_smth.xvg", "w");
+ tmpfp = gmx_ffopen("integral_smth.xvg", "w");
integralSmth = print_and_integrate(tmpfp, nx, x[1]-x[0], combined, NULL, 1);
printf("SMOOTH integral = %10.5e\n", integralSmth);
}
printf("MAXEPS = %10.5e at frequency %10.5e GHz (tauD = %8.1f ps)\n",
maxeps, numax, 1000/(2*M_PI*numax));
- ffclose(fp);
- ffclose(cp);
+ gmx_ffclose(fp);
+ gmx_ffclose(cp);
sfree(tmp);
}
"Number of points for smoothing" }
};
- if (!parse_common_args(&argc, argv, PCA_CAN_TIME | PCA_CAN_VIEW | PCA_BE_NICE,
+ if (!parse_common_args(&argc, argv, PCA_CAN_TIME | PCA_CAN_VIEW,
NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, NULL, &oenv))
{
return 0;