ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Merge branch 'master' into varargs-log-error-functions

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-04-26 13:27:58 -04:00
parent e9e0bb71b6 31d244dd80
commit 6b04ebd617
1845 changed files with 3369 additions and 3357 deletions
Download Patch File Download Diff File Expand all files Collapse all files

46
src/variable.cpp
View File

@ -2338,7 +2338,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
double Variable::collapse_tree(Tree *tree)
{
double arg1,arg2;
double arg1,arg2,arg3;
if (tree->type == VALUE) return tree->value;
if (tree->type == ATOMARRAY) return 0.0;
@ -2805,19 +2805,19 @@ double Variable::collapse_tree(Tree *tree)
error->one(FLERR,"Invalid math function in variable formula");
if (ivalue4 < ivalue1 || ivalue5 > ivalue2)
error->one(FLERR,"Invalid math function in variable formula");
bigint istep;
bigint istep, offset;
if (update->ntimestep < ivalue1) istep = ivalue1;
else if (update->ntimestep < ivalue2) {
if (update->ntimestep < ivalue4 || update->ntimestep > ivalue5) {
bigint offset = update->ntimestep - ivalue1;
offset = update->ntimestep - ivalue1;
istep = ivalue1 + (offset/ivalue3)*ivalue3 + ivalue3;
if (update->ntimestep < ivalue2 && istep > ivalue4)
tree->value = ivalue4;
} else {
bigint offset = update->ntimestep - ivalue4;
offset = update->ntimestep - ivalue4;
istep = ivalue4 + (offset/ivalue6)*ivalue6 + ivalue6;
if (istep > ivalue5) {
bigint offset = ivalue5 - ivalue1;
offset = ivalue5 - ivalue1;
istep = ivalue1 + (offset/ivalue3)*ivalue3 + ivalue3;
if (istep > ivalue2) istep = MAXBIGINT;
}
@ -2828,8 +2828,8 @@ double Variable::collapse_tree(Tree *tree)
}
if (tree->type == VDISPLACE) {
double arg1 = collapse_tree(tree->first);
double arg2 = collapse_tree(tree->second);
arg1 = collapse_tree(tree->first);
arg2 = collapse_tree(tree->second);
if (tree->first->type != VALUE || tree->second->type != VALUE) return 0.0;
tree->type = VALUE;
double delta = update->ntimestep - update->beginstep;
@ -2838,9 +2838,9 @@ double Variable::collapse_tree(Tree *tree)
}
if (tree->type == SWIGGLE) {
double arg1 = collapse_tree(tree->first);
double arg2 = collapse_tree(tree->second);
double arg3 = collapse_tree(tree->extra[0]);
arg1 = collapse_tree(tree->first);
arg2 = collapse_tree(tree->second);
arg3 = collapse_tree(tree->extra[0]);
if (tree->first->type != VALUE || tree->second->type != VALUE ||
tree->extra[0]->type != VALUE) return 0.0;
tree->type = VALUE;
@ -2853,9 +2853,9 @@ double Variable::collapse_tree(Tree *tree)
}
if (tree->type == CWIGGLE) {
double arg1 = collapse_tree(tree->first);
double arg2 = collapse_tree(tree->second);
double arg3 = collapse_tree(tree->extra[0]);
arg1 = collapse_tree(tree->first);
arg2 = collapse_tree(tree->second);
arg3 = collapse_tree(tree->extra[0]);
if (tree->first->type != VALUE || tree->second->type != VALUE ||
tree->extra[0]->type != VALUE) return 0.0;
tree->type = VALUE;
@ -3134,19 +3134,19 @@ double Variable::eval_tree(Tree *tree, int i)
error->one(FLERR,"Invalid math function in variable formula");
if (ivalue4 < ivalue1 || ivalue5 > ivalue2)
error->one(FLERR,"Invalid math function in variable formula");
bigint istep;
bigint istep, offset;
if (update->ntimestep < ivalue1) istep = ivalue1;
else if (update->ntimestep < ivalue2) {
if (update->ntimestep < ivalue4 || update->ntimestep > ivalue5) {
bigint offset = update->ntimestep - ivalue1;
offset = update->ntimestep - ivalue1;
istep = ivalue1 + (offset/ivalue3)*ivalue3 + ivalue3;
if (update->ntimestep < ivalue2 && istep > ivalue4)
tree->value = ivalue4;
} else {
bigint offset = update->ntimestep - ivalue4;
offset = update->ntimestep - ivalue4;
istep = ivalue4 + (offset/ivalue6)*ivalue6 + ivalue6;
if (istep > ivalue5) {
bigint offset = ivalue5 - ivalue1;
offset = ivalue5 - ivalue1;
istep = ivalue1 + (offset/ivalue3)*ivalue3 + ivalue3;
if (istep > ivalue2) istep = MAXBIGINT;
}
@ -3716,18 +3716,18 @@ int Variable::math_function(char *word, char *contents, Tree **tree,
error->one(FLERR,"Invalid math function in variable formula");
if (ivalue4 < ivalue1 || ivalue5 > ivalue2)
error->one(FLERR,"Invalid math function in variable formula");
bigint istep;
bigint istep, offset;
if (update->ntimestep < ivalue1) istep = ivalue1;
else if (update->ntimestep < ivalue2) {
if (update->ntimestep < ivalue4 || update->ntimestep > ivalue5) {
bigint offset = update->ntimestep - ivalue1;
offset = update->ntimestep - ivalue1;
istep = ivalue1 + (offset/ivalue3)*ivalue3 + ivalue3;
if (update->ntimestep < ivalue4 && istep > ivalue4) istep = ivalue4;
} else {
bigint offset = update->ntimestep - ivalue4;
offset = update->ntimestep - ivalue4;
istep = ivalue4 + (offset/ivalue6)*ivalue6 + ivalue6;
if (istep > ivalue5) {
bigint offset = ivalue5 - ivalue1;
offset = ivalue5 - ivalue1;
istep = ivalue1 + (offset/ivalue3)*ivalue3 + ivalue3;
if (istep > ivalue2) istep = MAXBIGINT;
}
@ -4107,9 +4107,9 @@ int Variable::special_function(char *word, char *contents, Tree **tree,
Compute *compute = nullptr;
Fix *fix = nullptr;
int ivar = -1;
int index,nvec,nstride;
char *ptr1,*ptr2;
int ivar = -1;
// argument is compute
@ -5176,7 +5176,7 @@ int VarReader::read_peratom()
bigint nread = 0;
while (nread < nlines) {
nchunk = MIN(nlines-nread,CHUNK);
eof = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer);
eof = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world);
if (eof) return 1;
char *buf = buffer;