| 1 |
< |
#include <cstdlib> |
| 2 |
< |
#include <cstring> |
| 3 |
< |
#include <cmath> |
| 1 |
> |
#include <stdlib.h> |
| 2 |
> |
#include <string.h> |
| 3 |
> |
#include <math.h> |
| 4 |
|
|
| 5 |
|
#include <iostream> |
| 6 |
|
using namespace std; |
| 408 |
|
|
| 409 |
|
|
| 410 |
|
int SimInfo::getNDF(){ |
| 411 |
< |
int ndf_local, ndf; |
| 411 |
> |
int ndf_local; |
| 412 |
|
|
| 413 |
|
ndf_local = 3 * n_atoms + 3 * n_oriented - n_constraints; |
| 414 |
|
|
| 424 |
|
} |
| 425 |
|
|
| 426 |
|
int SimInfo::getNDFraw() { |
| 427 |
< |
int ndfRaw_local, ndfRaw; |
| 427 |
> |
int ndfRaw_local; |
| 428 |
|
|
| 429 |
|
// Raw degrees of freedom that we have to set |
| 430 |
|
ndfRaw_local = 3 * n_atoms + 3 * n_oriented; |
| 439 |
|
} |
| 440 |
|
|
| 441 |
|
int SimInfo::getNDFtranslational() { |
| 442 |
< |
int ndfTrans_local, ndfTrans; |
| 442 |
> |
int ndfTrans_local; |
| 443 |
|
|
| 444 |
|
ndfTrans_local = 3 * n_atoms - n_constraints; |
| 445 |
|
|