315 |
|
// Randomize a vector of ints: |
316 |
|
|
317 |
|
vector<int> ids; |
318 |
< |
for (int i = 0; i < sites.size(); i++) ids.push_back(i); |
318 |
> |
for (unsigned int i = 0; i < sites.size(); i++) ids.push_back(i); |
319 |
|
std::random_shuffle(ids.begin(), ids.end()); |
320 |
|
|
321 |
|
Molecule* mol; |
368 |
|
|
369 |
|
oldMdFile.getline(buffer, MAXLEN); |
370 |
|
|
371 |
< |
int i = 0; |
371 |
> |
unsigned int i = 0; |
372 |
|
while (!oldMdFile.eof()) { |
373 |
|
|
374 |
|
//correct molecule number |
375 |
|
if (strstr(buffer, "nMol") != NULL) { |
376 |
< |
if(i<nMol.size()){ |
376 |
> |
if (i<nMol.size()){ |
377 |
|
sprintf(buffer, "\tnMol = %i;", nMol.at(i)); |
378 |
|
newMdFile << buffer << std::endl; |
379 |
|
i++; |