* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#include "copyrite.h"
+#include "gmxpre.h"
+
+#include "gromacs/legacyheaders/copyrite.h"
-#ifdef HAVE_CONFIG_H
#include "config.h"
-#endif
#include <stdio.h>
#include <stdlib.h>
#ifdef HAVE_LIBMKL
#include <mkl.h>
#endif
-
#ifdef HAVE_EXTRAE
- #include "extrae_user_events.h"
+#include <extrae_user_events.h>
#endif
-
#include <boost/version.hpp>
/* This file is completely threadsafe - keep it that way! */
-#include "gromacs/legacyheaders/macros.h"
-
+#include "buildinfo.h"
#include "gromacs/fft/fft.h"
#include "gromacs/fileio/strdb.h"
+#include "gromacs/legacyheaders/macros.h"
#include "gromacs/math/vec.h"
#include "gromacs/random/random.h"
#include "gromacs/utility/baseversion.h"
#include "gromacs/utility/programcontext.h"
#include "gromacs/utility/smalloc.h"
-#include "buildinfo.h"
-
static gmx_bool be_cool(void)
{
/* Yes, it is bad to check the environment variable every call,
"M. Lundborg, R. Apostolov, D. Spangberg, A. Gardenas, D. van der Spoel and E. Lindahl",
"An efficient and extensible format, library, and API for binary trajectory data from molecular simulations",
"J. Comput. Chem.",
- 35, 2014, "260-269"}
+ 35, 2014, "260-269"},
+ { "Goga2012",
+ "N. Goga and A. J. Rzepiela and A. H. de Vries and S. J. Marrink and H. J. C. Berendsen",
+ "Efficient Algorithms for Langevin and DPD Dynamics",
+ "J. Chem. Theory Comput.",
+ 8, 2012, "3637--3649"}
};
#define NSTR (int)asize(citedb)
const char *ShortProgram(void)
{
+ const char *programName = NULL;
+
try
{
// TODO: Use the display name once it doesn't break anything.
- return gmx::getProgramContext().programName();
+ programName = gmx::getProgramContext().programName();
}
GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
+
+ return programName;
}
const char *Program(void)