Merge release-5-0 into master

[alexxy/gromacs.git] / src / gromacs / legacyheaders / domdec.h

diff --git a/src/gromacs/legacyheaders/domdec.h b/src/gromacs/legacyheaders/domdec.h
index 32b7cf4bce930e174da1bfa625d88fe6ad0b01b8..c44c7bf8406784fdd4ee17326d357a3266c521d4 100644 (file)
--- a/src/gromacs/legacyheaders/domdec.h
+++ b/src/gromacs/legacyheaders/domdec.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2005,2006,2007,2008,2009,2010,2012,2013, by the GROMACS development team, led by
+ * Copyright (c) 2005,2006,2007,2008,2009,2010,2012,2013,2014, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -36,10 +36,10 @@
 #ifndef _domdec_h
 #define _domdec_h
 
-#include "typedefs.h"
-#include "types/commrec.h"
-#include "vsite.h"
-#include "genborn.h"
+#include "gromacs/legacyheaders/genborn.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/vsite.h"
+#include "gromacs/timing/wallcycle.h"
 
 #ifdef __cplusplus
 extern "C" {
@@ -139,6 +139,12 @@ void change_dd_dlb_cutoff_limit(t_commrec *cr);
  * possible after subsequently setting a shorter cut-off with change_dd_cutoff.
  */
 
+gmx_bool dd_dlb_is_locked(const gmx_domdec_t *dd);
+/* Return if the DLB lock is set */
+
+void dd_dlb_set_lock(gmx_domdec_t *dd, gmx_bool bValue);
+/* Set a lock such that with DLB=auto DLB can (not) get turned on */
+
 void dd_setup_dlb_resource_sharing(t_commrec           *cr,
                                    const gmx_hw_info_t *hwinfo,
                                    const gmx_hw_opt_t  *hw_opt);
@@ -227,8 +233,8 @@ void dd_move_f_vsites(gmx_domdec_t *dd, rvec *f, rvec *fshift);
 void dd_clear_f_vsites(gmx_domdec_t *dd, rvec *f);
 
 void dd_move_x_constraints(gmx_domdec_t *dd, matrix box,
-                           rvec *x0, rvec *x1);
-/* Move x0 and also x1 if x1!=NULL */
+                           rvec *x0, rvec *x1, gmx_bool bX1IsCoord);
+/* Move x0 and also x1 if x1!=NULL. bX1IsCoord tells if to do PBC on x1 */
 
 void dd_move_x_vsites(gmx_domdec_t *dd, matrix box, rvec *x);