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various small cleanups and bugfixes found by checking warnings from clang

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This commit is contained in:
Axel Kohlmeyer
2014-02-09 17:47:17 -05:00
parent f2cc64ee8b
commit 396e7165ae
12 changed files with 36 additions and 31 deletions
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24
src/pair.cpp
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@ -42,7 +42,7 @@ using namespace LAMMPS_NS;
#define EWALD_F 1.12837917
enum{RLINEAR,RSQ,BMP};
enum{NONE,RLINEAR,RSQ,BMP};
/* ---------------------------------------------------------------------- */
@ -627,15 +627,14 @@ void Pair::free_disp_tables()
double Pair::mix_energy(double eps1, double eps2, double sig1, double sig2)
{
double value;
if (mix_flag == GEOMETRIC)
value = sqrt(eps1*eps2);
return sqrt(eps1*eps2);
else if (mix_flag == ARITHMETIC)
value = sqrt(eps1*eps2);
return sqrt(eps1*eps2);
else if (mix_flag == SIXTHPOWER)
value = 2.0 * sqrt(eps1*eps2) *
pow(sig1,3.0) * pow(sig2,3.0) / (pow(sig1,6.0) + pow(sig2,6.0));
return value;
return (2.0 * sqrt(eps1*eps2) *
pow(sig1,3.0) * pow(sig2,3.0) / (pow(sig1,6.0) + pow(sig2,6.0)));
else return 0.0;
}
/* ----------------------------------------------------------------------
@ -644,14 +643,13 @@ double Pair::mix_energy(double eps1, double eps2, double sig1, double sig2)
double Pair::mix_distance(double sig1, double sig2)
{
double value;
if (mix_flag == GEOMETRIC)
value = sqrt(sig1*sig2);
return sqrt(sig1*sig2);
else if (mix_flag == ARITHMETIC)
value = 0.5 * (sig1+sig2);
return (0.5 * (sig1+sig2));
else if (mix_flag == SIXTHPOWER)
value = pow((0.5 * (pow(sig1,6.0) + pow(sig2,6.0))),1.0/6.0);
return value;
return pow((0.5 * (pow(sig1,6.0) + pow(sig2,6.0))),1.0/6.0);
else return 0.0;
}
/* ---------------------------------------------------------------------- */
@ -1459,7 +1457,7 @@ void Pair::write_file(int narg, char **arg)
int n = force->inumeric(FLERR,arg[2]);
int style;
int style = NONE;
if (strcmp(arg[3],"r") == 0) style = RLINEAR;
else if (strcmp(arg[3],"rsq") == 0) style = RSQ;
else if (strcmp(arg[3],"bitmap") == 0) style = BMP;