(85d81c42) · Commits · 郑智淋 / lammps

src/variable.cpp

+22 −3

Original line number	Diff line number	Diff line
		@@ -582,6 +582,7 @@ double Variable::evaluate(char str, Tree *tree)
		Tree *newtree = new Tree();
		newtree->type = VALUE;
		newtree->value = atof(number);
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;
		} else argstack[nargstack++] = atof(number);

		@@ -654,6 +655,7 @@ double Variable::evaluate(char str, Tree *tree)
		Tree *newtree = new Tree();
		newtree->type = VALUE;
		newtree->value = value1;
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;
		} else argstack[nargstack++] = value1;

		@@ -669,6 +671,7 @@ double Variable::evaluate(char str, Tree *tree)
		Tree *newtree = new Tree();
		newtree->type = VALUE;
		newtree->value = value1;
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;
		} else argstack[nargstack++] = value1;

		@@ -685,6 +688,7 @@ double Variable::evaluate(char str, Tree *tree)
		newtree->type = ATOMARRAY;
		newtree->array = compute->scalar_atom;
		newtree->nstride = 1;
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;

		// c_ID[N] = global value from per-atom scalar
		@@ -712,6 +716,7 @@ double Variable::evaluate(char str, Tree *tree)
		newtree->type = ATOMARRAY;
		newtree->array = &compute->vector_atom[0][index2-1];
		newtree->nstride = compute->size_peratom;
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;

		// c_ID[N][2] = global value from per-atom vector
		@@ -776,6 +781,7 @@ double Variable::evaluate(char str, Tree *tree)
		Tree *newtree = new Tree();
		newtree->type = VALUE;
		newtree->value = value1;
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;
		} else argstack[nargstack++] = value1;

		@@ -792,6 +798,7 @@ double Variable::evaluate(char str, Tree *tree)
		Tree *newtree = new Tree();
		newtree->type = VALUE;
		newtree->value = value1;
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;
		} else argstack[nargstack++] = value1;

		@@ -808,6 +815,7 @@ double Variable::evaluate(char str, Tree *tree)
		newtree->type = ATOMARRAY;
		newtree->array = fix->scalar_atom;
		newtree->nstride = 1;
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;

		// f_ID[N] = global value from per-atom scalar
		@@ -835,6 +843,7 @@ double Variable::evaluate(char str, Tree *tree)
		newtree->type = ATOMARRAY;
		newtree->array = &fix->vector_atom[0][index2-1];
		newtree->nstride = fix->size_peratom;
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;

		// f_ID[N][2] = global value from per-atom vector
		@@ -888,6 +897,7 @@ double Variable::evaluate(char str, Tree *tree)
		Tree *newtree = new Tree();
		newtree->type = VALUE;
		newtree->value = atof(var);
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;
		} else argstack[nargstack++] = atof(var);

		@@ -970,6 +980,7 @@ double Variable::evaluate(char str, Tree *tree)
		Tree *newtree = new Tree();
		newtree->type = VALUE;
		newtree->value = value1;
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;
		} else argstack[nargstack++] = value1;
		}
		@@ -1007,9 +1018,13 @@ double Variable::evaluate(char str, Tree *tree)
		if (tree) {
		Tree *newtree = new Tree();
		newtree->type = opprevious;
		if (opprevious == UNARY) {
		newtree->left = treestack[--ntreestack];
		newtree->right = NULL;
		} else {
		newtree->right = treestack[--ntreestack];
		if (opprevious == UNARY) newtree->left = newtree->right;
		else newtree->left = treestack[--ntreestack];
		newtree->left = treestack[--ntreestack];
		}
		treestack[ntreestack++] = newtree;

		} else {
		@@ -1200,6 +1215,7 @@ int Variable::math_function(char word, char contents, Tree **tree,
		Tree *argtree;
		double tmp = evaluate(contents,&argtree);
		newtree->left = argtree;
		newtree->right = NULL;
		treestack[ntreestack++] = newtree;
		} else value = evaluate(contents,NULL);

		@@ -1266,6 +1282,7 @@ int Variable::group_function(char word, char contents, Tree **tree,
		if (tree) {
		newtree = new Tree();
		newtree->type = VALUE;
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;
		}

		@@ -1401,6 +1418,7 @@ void Variable::peratom2global(int flag, char *word,
		Tree *newtree = new Tree();
		newtree->type = VALUE;
		newtree->value = value;
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;
		} else argstack[nargstack++] = value;
		}
		@@ -1421,6 +1439,7 @@ void Variable::atom_vector(char word, Tree *tree,
		Tree *newtree = new Tree();
		newtree->type = ATOMARRAY;
		newtree->nstride = 3;
		newtree->left = newtree->right = NULL;
		treestack[ntreestack++] = newtree;

		if (strcmp(word,"mass") == 0) {

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