/*
- *
+ *
* 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 eNR_NBKERNEL_NONE -1
-enum
+enum
{
eNR_NBKERNEL_VDW_VF,
eNR_NBKERNEL_VDW_F,
eNR_NBKERNEL_ELEC_VDW_W4W4_VF,
eNR_NBKERNEL_ELEC_VDW_W4W4_F,
- eNR_NBKERNEL_NR, /* Total number of interaction-specific kernel entries */
+ eNR_NBKERNEL_NR, /* Total number of interaction-specific kernel entries */
eNR_NBKERNEL_GENERIC = eNR_NBKERNEL_NR, /* Reuse number; KERNEL_NR is not an entry itself */
eNR_NBKERNEL_FREE_ENERGY, /* Add other generic kernels _before_ the free energy one */
eNR_BORN_AVA_CHAINRULE,
eNR_WEIGHTS, eNR_SPREADQ, eNR_SPREADQBSP,
eNR_GATHERF, eNR_GATHERFBSP, eNR_FFT,
- eNR_CONV, eNR_SOLVEPME,eNR_NS, eNR_RESETX,
+ eNR_CONV, eNR_SOLVEPME, eNR_NS, eNR_RESETX,
eNR_SHIFTX, eNR_CGCM, eNR_FSUM,
eNR_BONDS, eNR_G96BONDS, eNR_FENEBONDS,
eNR_TABBONDS, eNR_RESTRBONDS, eNR_LINEAR_ANGLES,