#ifndef TMPI_MPI_BINDINGS_H_
#define TMPI_MPI_BINDINGS_H_
+#include "tmpi.h"
+
/** \file
\brief MPI bindings for thread_mpi/tmpi.h
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2011,2013, by the GROMACS development team, led by
+ * Copyright (c) 2010,2011,2013,2014, 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.
#ifndef _GEMINATE_H
#define _GEMINATE_H
+#include <stddef.h>
+
+#include "gromacs/utility/basedefinitions.h"
+#include "gromacs/utility/real.h"
+
enum {
gemNULL, gemNONE, gemDD, gemAD, gemAA, gemA4, gemNR
};
#ifndef GMX_GMXPREPROCESS_CONVPARM_H
#define GMX_GMXPREPROCESS_CONVPARM_H
+#include "gromacs/gmxpreprocess/grompp-impl.h"
#include "gromacs/legacyheaders/typedefs.h"
#ifdef __cplusplus
#include <stdio.h>
+#include "gromacs/gmxpreprocess/gpp_atomtype.h"
+#include "gromacs/gmxpreprocess/grompp-impl.h"
+#include "gromacs/topology/atoms.h"
+
#ifdef __cplusplus
extern "C" {
#endif
#define GMX_GMXPREPROCESS_TOMORSE_H
#include <stdio.h>
+#include "gromacs/gmxpreprocess/gpp_atomtype.h"
+#include "gromacs/gmxpreprocess/grompp-impl.h"
#include "gromacs/legacyheaders/typedefs.h"
#ifdef __cplusplus
#ifndef GMX_GMXPREPROCESS_XLATE_H
#define GMX_GMXPREPROCESS_XLATE_H
+#include "gromacs/gmxpreprocess/hackblock.h"
#include "gromacs/utility/basedefinitions.h"
#ifdef __cplusplus
extern "C" {
#endif
+#include "gromacs/math/vectypes.h"
+
typedef real rvec5[5];
/* Distance restraining stuff */
* the research papers on the package. Check out http://www.gromacs.org.
*/
+#ifndef GMX_LEGACYHEADERS_TYPES_FORCEREC_H
+#define GMX_LEGACYHEADERS_TYPES_FORCEREC_H
+
+#include "gromacs/legacyheaders/types/enums.h"
#include "gromacs/legacyheaders/types/ns.h"
#include "gromacs/legacyheaders/types/genborn.h"
#include "gromacs/legacyheaders/types/qmmmrec.h"
#ifdef __cplusplus
}
#endif
+#endif
* the research papers on the package. Check out http://www.gromacs.org.
*/
+#ifndef GMX_LEGACYHEADERS_TYPES_GENBORN_H
+#define GMX_LEGACYHEADERS_TYPES_GENBORN_H
#ifdef __cplusplus
extern "C" {
#ifdef __cplusplus
}
#endif
+#endif
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifndef _INTERACTION_CONST_
-#define _INTERACTION_CONST_
+#ifndef GMX_LEGACYHEADERS_INTERACTION_CONST_H
+#define GMX_LEGACYHEADERS_INTERACTION_CONST_H
+
+#include "gromacs/utility/real.h"
#ifdef __cplusplus
extern "C" {
}
#endif
-#endif /* _INTERACTION_CONST_ */
+#endif
* the research papers on the package. Check out http://www.gromacs.org.
*/
+#ifndef GMX_LEGACYHEADERS_TYPES_NS_H
+#define GMX_LEGACYHEADERS_TYPES_NS_H
+
#include "gromacs/legacyheaders/types/nsgrid.h"
#include "gromacs/legacyheaders/types/nblist.h"
#ifdef __cplusplus
}
#endif
+#endif
* the research papers on the package. Check out http://www.gromacs.org.
*/
+#ifndef GMX_LEGACYHEADERS_TYPES_QMMMREC_H
+#define GMX_LEGACYHEADERS_TYPES_QMMMREC_H
#include "gromacs/legacyheaders/types/simple.h"
#ifdef __cplusplus
}
#endif
+#endif
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 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.
#ifndef _mdebin_bar_h
#define _mdebin_bar_h
+#include "gromacs/legacyheaders/mdebin.h"
+
#ifdef __cplusplus
extern "C" {
#endif
#define GMX_PULLING_PULL_ROTATION_H
#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/timing/wallcycle.h"
#include "../fileio/filenm.h"
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2011, by the GROMACS development team, led by
+ * Copyright (c) 2010,2011,2014, 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.
#ifndef GMX_SELECTION_MEMPOOL_H
#define GMX_SELECTION_MEMPOOL_H
+#include <cstddef>
+
struct gmx_ana_index_t;
/** Opaque struct for memory pooling. */
#include "gromacs/legacyheaders/typedefs.h"
#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/timing/wallcycle.h"
#ifdef __cplusplus
extern "C" {
extern "C" {
#endif
+#include "gromacs/legacyheaders/types/commrec_fwd.h"
+#include "gromacs/legacyheaders/types/forcerec.h"
+#include "gromacs/legacyheaders/types/inputrec.h"
+#include "gromacs/legacyheaders/types/interaction_const.h"
+#include "gromacs/legacyheaders/types/state.h"
+
typedef struct pme_load_balancing *pme_load_balancing_t;
/* Initialze the PP-PME load balacing data and infrastructure */
#ifndef _nmol_h
#define _nmol_h
+#include "programs/view/manager.h"
#include "x11.h"
#include "xutil.h"
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 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.
#ifndef _xmb_h
#define _xmb_h
-#include "x11.h"
+#include "programs/view/manager.h"
+#include "programs/view/x11.h"
+#include "programs/view/xdlg.h"
+#include "programs/view/xmb.h"
#define MB_OK 1
#define MB_CANCEL (1<<1)