# | Line 35 | Line 35 | |
---|---|---|
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 | * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | |
41 | */ | |
# | Line 141 | Line 141 | namespace OpenMD { | |
141 | prevPos = currPos; | |
142 | bool foundOpenSnapshotTag = false; | |
143 | bool foundClosedSnapshotTag = false; | |
144 | < | bool foundOpenSiteDataTag = false; |
144 | > | |
145 | while(inFile_->getline(buffer, bufferSize)) { | |
146 | ++lineNo; | |
147 | ||
# | Line 527 | Line 527 | namespace OpenMD { | |
527 | ||
528 | StringTokenizer tokenizer(line); | |
529 | int nTokens; | |
530 | < | |
530 | > | |
531 | nTokens = tokenizer.countTokens(); | |
532 | ||
533 | if (nTokens < 2) { | |
# | Line 647 | Line 647 | namespace OpenMD { | |
647 | ||
648 | void DumpReader::readSiteData(std::istream& inputStream) { | |
649 | ||
650 | – | inputStream.getline(buffer, bufferSize); |
650 | std::string line(buffer); | |
651 | + | |
652 | + | // We already found the starting <SiteData> tag or we wouldn't be |
653 | + | // here, so just start parsing until we get to the ending |
654 | + | // </SiteData> tag: |
655 | ||
653 | – | if (line.find("<SiteData>") == std::string::npos) { |
654 | – | // site data isn't required for a simulation, so skip |
655 | – | return; |
656 | – | } |
657 | – | |
656 | while(inputStream.getline(buffer, bufferSize)) { | |
657 | line = buffer; | |
658 |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |