35 |
|
* |
36 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
40 |
|
* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * |
41 |
|
* Created by J. Daniel Gezelter on 09/26/06. |
341 |
|
|
342 |
|
for (int l = 0; l <= lMax_; l++) { |
343 |
|
if (q[l] >= MinQ_ && q[l] < MaxQ_) { |
344 |
< |
int qbin = (q[l] - MinQ_) / deltaQ_; |
344 |
> |
int qbin = int((q[l] - MinQ_) / deltaQ_); |
345 |
|
Q_histogram_[std::make_pair(qbin,l)] += 1; |
346 |
|
Qcount_[l]++; |
347 |
|
} else { |
355 |
|
|
356 |
|
for (int l = 0; l <= lMax_; l++) { |
357 |
|
if (real(what[l]) >= MinW_ && real(what[l]) < MaxW_) { |
358 |
< |
int wbin = (real(what[l]) - MinW_) / deltaW_; |
358 |
> |
int wbin = int((real(what[l]) - MinW_) / deltaW_); |
359 |
|
W_histogram_[std::make_pair(wbin,l)] += 1; |
360 |
|
Wcount_[l]++; |
361 |
|
} else { |