/*
- *
+ *
* This source code is part of
- *
+ *
* G R O M A C S
- *
+ *
* GROningen MAchine for Chemical Simulations
- *
+ *
* VERSION 3.2.0
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
- *
+ *
* If you want to redistribute modifications, please consider that
* scientific software is very special. Version control is crucial -
* bugs must be traceable. We will be happy to consider code for
* inclusion in the official distribution, but derived work must not
* be called official GROMACS. Details are found in the README & COPYING
* files - if they are missing, get the official version at www.gromacs.org.
- *
+ *
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
- *
+ *
* For more info, check our website at http://www.gromacs.org
- *
+ *
* And Hey:
* GRoups of Organic Molecules in ACtion for Science
*/
*/
#define MAX_CGCGSIZE 32
-typedef struct
+typedef struct
{
int igeometry; /* The type of list (atom, water, etc.) */
int ielec; /* Coulomb loop type index for kernels */
int type; /* Type of interaction, listed in
gmx_nblist_interaction_type */
- int nri,maxnri; /* Current/max number of i particles */
- int nrj,maxnrj; /* Current/max number of j particles */
+ int nri, maxnri; /* Current/max number of i particles */
+ int nrj, maxnrj; /* Current/max number of j particles */
int maxlen; /* maxnr of j atoms for a single i atom */
int * iinr; /* The i-elements */
int * iinr_end; /* The end atom, only with enlistCG */