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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7039 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-10-06 17:55:48 +00:00
parent f70a2f8937
commit 15203cb792
81 changed files with 432 additions and 280 deletions
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19
src/variable.cpp
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@ -32,7 +32,10 @@
#include "memory.h"
#include "error.h"
#include "math_const.h"
using namespace LAMMPS_NS;
using namespace MathConst;
#define VARDELTA 4
#define MAXLEVEL 4
@ -88,8 +91,6 @@ Variable::Variable(LAMMPS *lmp) : Pointers(lmp)
precedence[MULTIPLY] = precedence[DIVIDE] = 6;
precedence[CARAT] = 7;
precedence[UNARY] = precedence[NOT] = 8;
PI = 4.0*atan(1.0);
}
/* ---------------------------------------------------------------------- */
@ -1767,7 +1768,7 @@ double Variable::collapse_tree(Tree *tree)
tree->type = VALUE;
if (arg3 == 0.0) error->one(FLERR,"Invalid math function in variable formula");
double delta = update->ntimestep - update->beginstep;
double omega = 2.0*PI/arg3;
double omega = 2.0*MY_PI/arg3;
tree->value = arg1 + arg2*sin(omega*delta*update->dt);
return tree->value;
}
@ -1781,7 +1782,7 @@ double Variable::collapse_tree(Tree *tree)
tree->type = VALUE;
if (arg3 == 0.0) error->one(FLERR,"Invalid math function in variable formula");
double delta = update->ntimestep - update->beginstep;
double omega = 2.0*PI/arg3;
double omega = 2.0*MY_PI/arg3;
tree->value = arg1 + arg2*(1.0-cos(omega*delta*update->dt));
return tree->value;
}
@ -1997,7 +1998,7 @@ double Variable::eval_tree(Tree *tree, int i)
arg3 = eval_tree(tree->right,i);
if (arg3 == 0.0) error->one(FLERR,"Invalid math function in variable formula");
double delta = update->ntimestep - update->beginstep;
double omega = 2.0*PI/arg3;
double omega = 2.0*MY_PI/arg3;
arg = arg1 + arg2*sin(omega*delta*update->dt);
return arg;
}
@ -2008,7 +2009,7 @@ double Variable::eval_tree(Tree *tree, int i)
arg3 = eval_tree(tree->right,i);
if (arg3 == 0.0) error->one(FLERR,"Invalid math function in variable formula");
double delta = update->ntimestep - update->beginstep;
double omega = 2.0*PI/arg3;
double omega = 2.0*MY_PI/arg3;
arg = arg1 + arg2*(1.0-cos(omega*delta*update->dt));
return arg;
}
@ -2385,7 +2386,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree,
if (value3 == 0.0)
error->all(FLERR,"Invalid math function in variable formula");
double delta = update->ntimestep - update->beginstep;
double omega = 2.0*PI/value3;
double omega = 2.0*MY_PI/value3;
double value = value1 + value2*sin(omega*delta*update->dt);
argstack[nargstack++] = value;
}
@ -2399,7 +2400,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree,
if (value3 == 0.0)
error->all(FLERR,"Invalid math function in variable formula");
double delta = update->ntimestep - update->beginstep;
double omega = 2.0*PI/value3;
double omega = 2.0*MY_PI/value3;
double value = value1 + value2*(1.0-cos(omega*delta*update->dt));
argstack[nargstack++] = value;
}
@ -3058,7 +3059,7 @@ int Variable::is_constant(char *word)
double Variable::constant(char *word)
{
if (strcmp(word,"PI") == 0) return PI;
if (strcmp(word,"PI") == 0) return MY_PI;
return 0.0;
}