# | Line 6 | Line 6 | |
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6 | * redistribute this software in source and binary code form, provided | |
7 | * that the following conditions are met: | |
8 | * | |
9 | < | * 1. Acknowledgement of the program authors must be made in any |
10 | < | * publication of scientific results based in part on use of the |
11 | < | * program. An acceptable form of acknowledgement is citation of |
12 | < | * the article in which the program was described (Matthew |
13 | < | * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
14 | < | * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
15 | < | * Parallel Simulation Engine for Molecular Dynamics," |
16 | < | * J. Comput. Chem. 26, pp. 252-271 (2005)) |
17 | < | * |
18 | < | * 2. Redistributions of source code must retain the above copyright |
9 | > | * 1. Redistributions of source code must retain the above copyright |
10 | * notice, this list of conditions and the following disclaimer. | |
11 | * | |
12 | < | * 3. Redistributions in binary form must reproduce the above copyright |
12 | > | * 2. Redistributions in binary form must reproduce the above copyright |
13 | * notice, this list of conditions and the following disclaimer in the | |
14 | * documentation and/or other materials provided with the | |
15 | * distribution. | |
# | Line 37 | Line 28 | |
28 | * arising out of the use of or inability to use software, even if the | |
29 | * University of Notre Dame has been advised of the possibility of | |
30 | * such damages. | |
31 | + | * |
32 | + | * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
33 | + | * research, please cite the appropriate papers when you publish your |
34 | + | * work. Good starting points are: |
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). |
39 | + | * [4] Vardeman & Gezelter, in progress (2009). |
40 | */ | |
41 | #include <algorithm> | |
42 | #include <stack> | |
43 | + | #include <cstdio> |
44 | #include "io/SectionParserManager.hpp" | |
45 | #include "utils/Trim.hpp" | |
46 | #include "utils/simError.h" | |
47 | ||
48 | < | namespace oopse { |
48 | > | namespace OpenMD { |
49 | ||
50 | SectionParserManager::~SectionParserManager() { | |
51 | SectionParserManager::iterator i; | |
# | Line 141 | Line 142 | namespace oopse { | |
142 | input.clear(); | |
143 | input.seekg(i->offset); | |
144 | (i->sectionParser)->parse(input, ff, i->lineNo); | |
145 | + | (i->sectionParser)->validateSection(); |
146 | } | |
147 | } | |
148 | ||
# | Line 150 | Line 152 | namespace oopse { | |
152 | SectionParserManager::iterator i; | |
153 | i = findSectionParser(sp->getSectionName()); | |
154 | if (i != sectionParsers_.end()) { | |
155 | < | std::cerr << sp->getSectionName() << " section parser is alway existed" |
155 | > | std::cerr << sp->getSectionName() << " section parser already exists" |
156 | << std::endl; | |
157 | return; | |
158 | } | |
# | Line 175 | Line 177 | namespace oopse { | |
177 | SectionParserManager::iterator i; | |
178 | i = findSectionParser(sp->getSectionName()); | |
179 | if (i != sectionParsers_.end()) { | |
180 | < | std::cerr << sp->getSectionName() << " section parser is alway existed" |
180 | > | std::cerr << sp->getSectionName() << " section parser already exists" |
181 | << std::endl; | |
182 | return; | |
183 | } | |
# | Line 200 | Line 202 | namespace oopse { | |
202 | SectionParserManager::iterator i; | |
203 | i = findSectionParser(sp->getSectionName()); | |
204 | if (i != sectionParsers_.end()) { | |
205 | < | std::cerr << sp->getSectionName() << " section parser is alway existed" |
205 | > | std::cerr << sp->getSectionName() << " section parser already exists" |
206 | << std::endl; | |
207 | } | |
208 |
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