1 |
< |
#include <cstdlib> |
2 |
< |
#include <cstdio> |
3 |
< |
#include <cstring> |
1 |
> |
#include <stdlib.h> |
2 |
> |
#include <stdio.h> |
3 |
> |
#include <string.h> |
4 |
|
|
5 |
|
#include <iostream> |
6 |
|
using namespace std; |
356 |
|
int isSSD = 0; |
357 |
|
int isGB = 0; |
358 |
|
int isEAM = 0; |
359 |
+ |
int isCharge = 0; |
360 |
+ |
double charge = 0.0; |
361 |
|
double dipole = 0.0; |
362 |
|
|
363 |
|
currentAtomType = headAtomType; |
371 |
|
&isDipole, |
372 |
|
&isGB, |
373 |
|
&isEAM, |
374 |
+ |
&isCharge, |
375 |
|
&(currentAtomType->epslon), |
376 |
|
&(currentAtomType->sigma), |
377 |
+ |
&charge, |
378 |
|
&dipole, |
379 |
|
&isError ); |
380 |
|
if( isError ){ |