*
*
* This source code is part of
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+ *
* G R O M A C S
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+ *
* GROningen MAchine for Chemical Simulations
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+ *
* 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.
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*/
* In the latter case output_index is the task/thread list/buffer index.
*/
void
-clear_f(const nbnxn_atomdata_t *nbat,int output_index,real *f);
+clear_f(const nbnxn_atomdata_t *nbat, int output_index, real *f);
/* Clear the shift forces */
void
/* Reduce the collected energy terms over the pair-lists/threads */
void
reduce_energies_over_lists(const nbnxn_atomdata_t *nbat,
- int nlist,
+ int nlist,
real *Vvdw,
real *Vc);