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]) || |