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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@695 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-06-28 15:10:19 +00:00
parent c45eeb3020
commit 33c477bba2
4 changed files with 10 additions and 6 deletions
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2
src/KSPACE/pair_lj_cut_coul_long.h
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@ -21,7 +21,7 @@ namespace LAMMPS_NS {
class PairLJCutCoulLong : public Pair { class PairLJCutCoulLong : public Pair {
public: public:
PairLJCutCoulLong(class LAMMPS *); PairLJCutCoulLong(class LAMMPS *);
~PairLJCutCoulLong(); virtual ~PairLJCutCoulLong();
virtual void compute(int, int); virtual void compute(int, int);
virtual void settings(int, char **); virtual void settings(int, char **);
void coeff(int, char **); void coeff(int, char **);

11
src/XTC/dump_xtc.cpp
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@ -38,6 +38,9 @@ using namespace LAMMPS_NS;
#define EPS 1e-5 #define EPS 1e-5
#define XTC_MAGIC 1995 #define XTC_MAGIC 1995
#define MYMIN(a,b) ((a) < (b) ? (a) : (b))
#define MYMAX(a,b) ((a) > (b) ? (a) : (b))
int xdropen(XDR *, const char *, const char *); int xdropen(XDR *, const char *, const char *);
int xdrclose(XDR *) ; int xdrclose(XDR *) ;
void xdrfreebuf(); void xdrfreebuf();
@ -830,9 +833,9 @@ int xdr3dfcoord(XDR *xdrs, float *fp, int *size, float *precision)
smallidx++; smallidx++;
} }
xdr_int(xdrs, &smallidx); xdr_int(xdrs, &smallidx);
maxidx = MIN(LASTIDX, smallidx + 8) ; maxidx = MYMIN(LASTIDX, smallidx + 8) ;
minidx = maxidx - 8; /* often this equal smallidx */ minidx = maxidx - 8; /* often this equal smallidx */
smaller = magicints[MAX(FIRSTIDX, smallidx-1)] / 2; smaller = magicints[MYMAX(FIRSTIDX, smallidx-1)] / 2;
small = magicints[smallidx] / 2; small = magicints[smallidx] / 2;
sizesmall[0] = sizesmall[1] = sizesmall[2] = magicints[smallidx]; sizesmall[0] = sizesmall[1] = sizesmall[2] = magicints[smallidx];
larger = magicints[maxidx] / 2; larger = magicints[maxidx] / 2;
@ -1006,9 +1009,9 @@ int xdr3dfcoord(XDR *xdrs, float *fp, int *size, float *precision)
} }
xdr_int(xdrs, &smallidx); xdr_int(xdrs, &smallidx);
maxidx = MIN(LASTIDX, smallidx + 8) ; maxidx = MYMIN(LASTIDX, smallidx + 8) ;
minidx = maxidx - 8; /* often this equal smallidx */ minidx = maxidx - 8; /* often this equal smallidx */
smaller = magicints[MAX(FIRSTIDX, smallidx-1)] / 2; smaller = magicints[MYMAX(FIRSTIDX, smallidx-1)] / 2;
small = magicints[smallidx] / 2; small = magicints[smallidx] / 2;
sizesmall[0] = sizesmall[1] = sizesmall[2] = magicints[smallidx] ; sizesmall[0] = sizesmall[1] = sizesmall[2] = magicints[smallidx] ;
larger = magicints[maxidx]; larger = magicints[maxidx];

1
src/output.cpp
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@ -36,6 +36,7 @@
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
#define DELTA 1 #define DELTA 1
#define MYMIN(a,b) ((a) < (b) ? (a) : (b)) #define MYMIN(a,b) ((a) < (b) ? (a) : (b))
#define MYMAX(a,b) ((a) > (b) ? (a) : (b)) #define MYMAX(a,b) ((a) > (b) ? (a) : (b))

2
src/pair_lj_cut_coul_cut.h
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@ -21,7 +21,7 @@ namespace LAMMPS_NS {
class PairLJCutCoulCut : public Pair { class PairLJCutCoulCut : public Pair {
public: public:
PairLJCutCoulCut(class LAMMPS *); PairLJCutCoulCut(class LAMMPS *);
~PairLJCutCoulCut(); virtual ~PairLJCutCoulCut();
virtual void compute(int, int); virtual void compute(int, int);
virtual void settings(int, char **); virtual void settings(int, char **);
void coeff(int, char **); void coeff(int, char **);