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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14696 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-03-01 18:22:28 +00:00
parent 23ab6d4c0c
commit d1a65e5f6a
9 changed files with 639 additions and 88 deletions
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17
src/variable.h
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@ -35,12 +35,14 @@ class Variable : protected Pointers {
int equalstyle(int);
int atomstyle(int);
int vectorstyle(int);
char *pythonstyle(char *, char *);
char *retrieve(char *);
double compute_equal(int);
double compute_equal(char *);
void compute_atom(int, int, double *, int, int);
int compute_vector(int, double **);
tagint int_between_brackets(char *&, int);
double evaluate_boolean(char *);
@ -63,7 +65,15 @@ class Variable : protected Pointers {
class VarReader **reader; // variable that reads from file
char ***data; // str value of each variable's values
int *eval_in_progress; // flag if evaluation of variable is in progress
struct VecVar {
int n,nmax;
bigint currentstep;
double *values;
};
VecVar *vecs;
int *eval_in_progress; // flag if evaluation of variable is in progress
int treetype; // ATOM or VECTOR flag for formula evaluation
class RanMars *randomequal; // random number generator for equal-style vars
class RanMars *randomatom; // random number generator for atom-style vars
@ -73,12 +83,13 @@ class Variable : protected Pointers {
class Python *python; // ptr to embedded Python interpreter
struct Tree { // parse tree for atom-style variables
struct Tree { // parse tree for atom-style or vector-style variables
double value; // single scalar
double *array; // per-atom or per-type list of doubles
int *iarray; // per-atom list of ints
bigint *barray; // per-atom list of bigints
int type; // operation, see enum{} in variable.cpp
int nvector; // length of array for vector-style variable
int nstride; // stride between atoms if array is a 2d array
int selfalloc; // 1 if array is allocated here, else 0
int ivalue1,ivalue2; // extra values for needed for gmask,rmask,grmask
@ -94,6 +105,8 @@ class Variable : protected Pointers {
double evaluate(char *, Tree **);
double collapse_tree(Tree *);
double eval_tree(Tree *, int);
int size_tree_vector(Tree *);
int compare_tree_vector(int, int);
void free_tree(Tree *);
int find_matching_paren(char *, int, char *&);
int math_function(char *, char *, Tree **, Tree **, int &, double *, int &);