* the research papers on the package. Check out http://www.gromacs.org.
*/
/* This file is completely threadsafe - keep it that way! */
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
+
+#include "tomorse.h"
#include <ctype.h>
#include <math.h>
#include <stdlib.h>
#include <string.h>
-#include "typedefs.h"
+#include "gromacs/gmxpreprocess/gpp_atomtype.h"
+#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/gmxpreprocess/toputil.h"
+#include "gromacs/legacyheaders/typedefs.h"
#include "gromacs/utility/cstringutil.h"
-#include "grompp-impl.h"
-#include "gromacs/fileio/futil.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/futil.h"
#include "gromacs/utility/smalloc.h"
-#include "toputil.h"
-#include "gmx_fatal.h"
-#include "gpp_atomtype.h"
-#include "macros.h"
-
-#include "tomorse.h"
typedef struct {
char *ai, *aj;
srenew(t2m, maxn2m);
}
/* Copy the values */
- t2m[n2m].ai = strdup(ai);
- t2m[n2m].aj = strdup(aj);
+ t2m[n2m].ai = gmx_strdup(ai);
+ t2m[n2m].aj = gmx_strdup(aj);
t2m[n2m].e_diss = e_diss;
/* Increment counter */
n2m++;
last++;
}
}
+ /* cppcheck-suppress uninitvar Fixed in cppcheck 1.65 */
sfree(bRemoveHarm);
fprintf(stderr, "Converted %d out of %d %s to morse bonds for mol %d\n",
nrharm-last, nrharm, interaction_function[bb].name, i);