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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5026 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-10-12 18:51:38 +00:00
parent 66f5c0f42a
commit 51af42b59d
1 changed files with 8 additions and 8 deletions
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16
src/variable.cpp
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@ -50,7 +50,7 @@ enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,UNARY,
EQ,NE,LT,LE,GT,GE,AND,OR, EQ,NE,LT,LE,GT,GE,AND,OR,
SQRT,EXP,LN,LOG,SIN,COS,TAN,ASIN,ACOS,ATAN,ATAN2, SQRT,EXP,LN,LOG,SIN,COS,TAN,ASIN,ACOS,ATAN,ATAN2,
RANDOM,NORMAL,CEIL,FLOOR,ROUND,RAMP,STAGGER,LOGFREQ, RANDOM,NORMAL,CEIL,FLOOR,ROUND,RAMP,STAGGER,LOGFREQ,
VLINEAR,SWIGGLE,CWIGGLE, VDISPLACE,SWIGGLE,CWIGGLE,
VALUE,ATOMARRAY,TYPEARRAY,INTARRAY}; VALUE,ATOMARRAY,TYPEARRAY,INTARRAY};
// customize by adding a special function // customize by adding a special function
@ -1377,7 +1377,7 @@ double Variable::evaluate(char *str, Tree **tree)
sqrt(),exp(),ln(),log(),sin(),cos(),tan(),asin(),acos(),atan(), sqrt(),exp(),ln(),log(),sin(),cos(),tan(),asin(),acos(),atan(),
atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(), atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),
ramp(x,y),stagger(x,y),logfreq(x,y,z), ramp(x,y),stagger(x,y),logfreq(x,y,z),
vlinear(x,y),swiggle(x,y,z),cwiggle(x,y,z) vdisplace(x,y),swiggle(x,y,z),cwiggle(x,y,z)
---------------------------------------------------------------------- */ ---------------------------------------------------------------------- */
double Variable::eval_tree(Tree *tree, int i) double Variable::eval_tree(Tree *tree, int i)
@ -1554,7 +1554,7 @@ double Variable::eval_tree(Tree *tree, int i)
return arg; return arg;
} }
if (tree->type == VLINEAR) { if (tree->type == VDISPLACE) {
double arg1 = eval_tree(tree->left,i); double arg1 = eval_tree(tree->left,i);
double arg2 = eval_tree(tree->right,i); double arg2 = eval_tree(tree->right,i);
double delta = update->ntimestep - update->beginstep; double delta = update->ntimestep - update->beginstep;
@ -1667,7 +1667,7 @@ int Variable::int_between_brackets(char *&ptr)
sqrt(),exp(),ln(),log(),sin(),cos(),tan(),asin(),acos(),atan(), sqrt(),exp(),ln(),log(),sin(),cos(),tan(),asin(),acos(),atan(),
atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(), atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),
ramp(x,y),stagger(x,y),logfreq(x,y,z), ramp(x,y),stagger(x,y),logfreq(x,y,z),
vlinear(x,y),swiggle(x,y,z),cwiggle(x,y,z) vdisplace(x,y),swiggle(x,y,z),cwiggle(x,y,z)
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
int Variable::math_function(char *word, char *contents, Tree **tree, int Variable::math_function(char *word, char *contents, Tree **tree,
@ -1685,7 +1685,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree,
strcmp(word,"normal") && strcmp(word,"ceil") && strcmp(word,"normal") && strcmp(word,"ceil") &&
strcmp(word,"floor") && strcmp(word,"round") && strcmp(word,"floor") && strcmp(word,"round") &&
strcmp(word,"ramp") && strcmp(word,"stagger") && strcmp(word,"ramp") && strcmp(word,"stagger") &&
strcmp(word,"logfreq") && strcmp(word,"vlinear") && strcmp(word,"logfreq") && strcmp(word,"vdisplace") &&
strcmp(word,"swiggle") && strcmp(word,"cwiggle")) strcmp(word,"swiggle") && strcmp(word,"cwiggle"))
return 0; return 0;
@ -1916,11 +1916,11 @@ int Variable::math_function(char *word, char *contents, Tree **tree,
argstack[nargstack++] = value; argstack[nargstack++] = value;
} }
} else if (strcmp(word,"vlinear") == 0) { } else if (strcmp(word,"vdisplace") == 0) {
if (narg != 2) error->all("Invalid math function in variable formula"); if (narg != 2) error->all("Invalid math function in variable formula");
if (update->whichflag == 0) if (update->whichflag == 0)
error->all("Cannot use vlinear in variable formula between runs"); error->all("Cannot use vdisplace in variable formula between runs");
if (tree) newtree->type = VLINEAR; if (tree) newtree->type = VDISPLACE;
else { else {
double delta = update->ntimestep - update->beginstep; double delta = update->ntimestep - update->beginstep;
double value = value1 + value2*delta*update->dt; double value = value1 + value2*delta*update->dt;