* 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 <string.h>
-#include "typedefs.h"
-#include "smalloc.h"
-#include "genborn.h"
-#include "vec.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/utility/smalloc.h"
+#include "gromacs/legacyheaders/genborn.h"
+#include "gromacs/math/vec.h"
#include "gromacs/fileio/pdbio.h"
-#include "names.h"
-#include "physics.h"
-#include "partdec.h"
-#include "domdec.h"
-#include "network.h"
-#include "gmx_fatal.h"
-#include "mtop_util.h"
-#include "genborn.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/math/units.h"
+#include "gromacs/legacyheaders/domdec.h"
+#include "gromacs/legacyheaders/network.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/legacyheaders/genborn.h"
#include "gromacs/utility/gmxmpi.h"
}
/* Sum up the polarization energy from other nodes */
- if (PARTDECOMP(cr))
- {
- gmx_sum(natoms, work, cr);
- }
- else if (DOMAINDECOMP(cr))
+ if (DOMAINDECOMP(cr))
{
dd_atom_sum_real(cr->dd, work);
}
}
/* Parallel summations */
- if (PARTDECOMP(cr))
- {
- gmx_sum(natoms, work, cr);
- }
- else if (DOMAINDECOMP(cr))
+ if (DOMAINDECOMP(cr))
{
dd_atom_sum_real(cr->dd, work);
}