# | 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 128 | Line 128 | namespace OpenMD { | |
128 | } | |
129 | ||
130 | void DumpReader::scanFile(void) { | |
131 | < | int lineNo = 0; |
131 | > | |
132 | std::streampos prevPos; | |
133 | std::streampos currPos; | |
134 | ||
# | Line 142 | Line 142 | namespace OpenMD { | |
142 | bool foundOpenSnapshotTag = false; | |
143 | bool foundClosedSnapshotTag = false; | |
144 | ||
145 | + | int lineNo = 0; |
146 | while(inFile_->getline(buffer, bufferSize)) { | |
147 | ++lineNo; | |
148 | ||
# | Line 527 | Line 528 | namespace OpenMD { | |
528 | ||
529 | StringTokenizer tokenizer(line); | |
530 | int nTokens; | |
531 | < | |
531 | > | |
532 | nTokens = tokenizer.countTokens(); | |
533 | ||
534 | if (nTokens < 2) { | |
# | Line 647 | Line 648 | namespace OpenMD { | |
648 | ||
649 | void DumpReader::readSiteData(std::istream& inputStream) { | |
650 | ||
650 | – | inputStream.getline(buffer, bufferSize); |
651 | std::string line(buffer); | |
652 | + | |
653 | + | // We already found the starting <SiteData> tag or we wouldn't be |
654 | + | // here, so just start parsing until we get to the ending |
655 | + | // </SiteData> tag: |
656 | ||
653 | – | if (line.find("<SiteData>") == std::string::npos) { |
654 | – | // site data isn't required for a simulation, so skip |
655 | – | return; |
656 | – | } |
657 | – | |
657 | while(inputStream.getline(buffer, bufferSize)) { | |
658 | line = buffer; | |
659 |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |