| 1723 |
|
void RNEMD::writeReal(int index, unsigned int bin) { |
| 1724 |
|
if (!doRNEMD_) return; |
| 1725 |
|
assert(index >=0 && index < ENDINDEX); |
| 1726 |
< |
assert(bin < nBins_); |
| 1726 |
> |
assert(int(bin) < nBins_); |
| 1727 |
|
RealType s; |
| 1728 |
|
|
| 1729 |
|
dynamic_cast<Accumulator *>(data_[index].accumulator[bin])->getAverage(s); |
| 1742 |
|
void RNEMD::writeVector(int index, unsigned int bin) { |
| 1743 |
|
if (!doRNEMD_) return; |
| 1744 |
|
assert(index >=0 && index < ENDINDEX); |
| 1745 |
< |
assert(bin < nBins_); |
| 1745 |
> |
assert(int(bin) < nBins_); |
| 1746 |
|
Vector3d s; |
| 1747 |
|
dynamic_cast<VectorAccumulator*>(data_[index].accumulator[bin])->getAverage(s); |
| 1748 |
|
if (isinf(s[0]) || isnan(s[0]) || |
| 1761 |
|
void RNEMD::writeRealStdDev(int index, unsigned int bin) { |
| 1762 |
|
if (!doRNEMD_) return; |
| 1763 |
|
assert(index >=0 && index < ENDINDEX); |
| 1764 |
< |
assert(bin < nBins_); |
| 1764 |
> |
assert(int(bin) < nBins_); |
| 1765 |
|
RealType s; |
| 1766 |
|
|
| 1767 |
|
dynamic_cast<Accumulator *>(data_[index].accumulator[bin])->getStdDev(s); |
| 1780 |
|
void RNEMD::writeVectorStdDev(int index, unsigned int bin) { |
| 1781 |
|
if (!doRNEMD_) return; |
| 1782 |
|
assert(index >=0 && index < ENDINDEX); |
| 1783 |
< |
assert(bin < nBins_); |
| 1783 |
> |
assert(int(bin) < nBins_); |
| 1784 |
|
Vector3d s; |
| 1785 |
|
dynamic_cast<VectorAccumulator*>(data_[index].accumulator[bin])->getStdDev(s); |
| 1786 |
|
if (isinf(s[0]) || isnan(s[0]) || |