NAMD
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#include "ComputeNonbondedUtil.h"
#include "SimParameters.h"
#include "Molecule.h"
#include "LJTable.h"
#include "ReductionMgr.h"
#include "ReserveArray.h"
#include "PressureProfile.h"
#include "Random.h"
#include <algorithm>
Go to the source code of this file.
Macros | |
#define | restrict |
#define | NBPAIR 1 |
#define | NBSELF 2 |
#define | __TERNARY_ASSIGN(test, val0, val1) ((test * val0) + ((1 - test) * val1)) |
Functions | |
int | pairlist_from_pairlist (BigReal cutoff2, BigReal p_i_x, BigReal p_i_y, BigReal p_i_z, const CompAtom *p_j, const plint *list, int list_size, int *newlist, BigReal r2_delta, BigReal *r2list) |
void | sortEntries_selectionSort (SortEntry *const se, const int seLen) |
void | sortEntries_bubbleSort (SortEntry *const se, const int seLen) |
void | sortEntries_mergeSort_v1 (SortEntry *&se, SortEntry *&buf, int seLen) |
void | sortEntries_mergeSort_v2 (SortEntry *&se, SortEntry *&buf, int seLen) |
#define __TERNARY_ASSIGN | ( | test, | |
val0, | |||
val1 | |||
) | ((test * val0) + ((1 - test) * val1)) |
Referenced by sortEntries_mergeSort_v2().
#define NBPAIR 1 |
Definition at line 346 of file ComputeNonbondedInl.h.
#define NBSELF 2 |
Definition at line 347 of file ComputeNonbondedInl.h.
#define restrict |
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Definition at line 15 of file ComputeNonbondedInl.h.
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inline |
Definition at line 80 of file ComputeNonbondedInl.h.
References CompAtom::position, Vector::x, Vector::y, and Vector::z.
Definition at line 388 of file ComputeNonbondedInl.h.
References __sort_entry::index, and __sort_entry::sortValue.
Setup pointers and counts for sublists in the pair. ///
Merge the sublists ///
Definition at line 425 of file ComputeNonbondedInl.h.
References __sort_entry::index, and __sort_entry::sortValue.
Setup pointers and counts for sublists in the pair. ///
Merge the sublists ///
Definition at line 556 of file ComputeNonbondedInl.h.
References __TERNARY_ASSIGN, __sort_entry::index, and __sort_entry::sortValue.
Definition at line 354 of file ComputeNonbondedInl.h.
References __sort_entry::index, and __sort_entry::sortValue.