-
Notifications
You must be signed in to change notification settings - Fork 0
/
IndexParser_8h.html
251 lines (246 loc) · 16.2 KB
/
IndexParser_8h.html
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "https://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
<html xmlns="http://www.w3.org/1999/xhtml" lang="en-US">
<head>
<meta http-equiv="Content-Type" content="text/xhtml;charset=UTF-8"/>
<meta http-equiv="X-UA-Compatible" content="IE=11"/>
<meta name="generator" content="Doxygen 1.10.0"/>
<meta name="viewport" content="width=device-width, initial-scale=1"/>
<title>votca: xtp/include/votca/xtp/IndexParser.h File Reference</title>
<link href="tabs.css" rel="stylesheet" type="text/css"/>
<script type="text/javascript" src="jquery.js"></script>
<script type="text/javascript" src="dynsections.js"></script>
<script type="text/javascript" src="clipboard.js"></script>
<script type="text/javascript" src="cookie.js"></script>
<link href="search/search.css" rel="stylesheet" type="text/css"/>
<script type="text/javascript" src="search/searchdata.js"></script>
<script type="text/javascript" src="search/search.js"></script>
<script type="text/x-mathjax-config">
MathJax.Hub.Config({
extensions: ["tex2jax.js"],
jax: ["input/TeX","output/HTML-CSS"],
});
</script>
<script type="text/javascript" async="async" src="https://cdn.jsdelivr.net/npm/mathjax@2/MathJax.js"></script>
<link href="doxygen.css" rel="stylesheet" type="text/css" />
</head>
<body>
<div id="top"><!-- do not remove this div, it is closed by doxygen! -->
<div id="titlearea">
<table cellspacing="0" cellpadding="0">
<tbody>
<tr id="projectrow">
<td id="projectalign">
<div id="projectname">votca<span id="projectnumber"> 2024-dev</span>
</div>
</td>
</tr>
</tbody>
</table>
</div>
<!-- end header part -->
<!-- Generated by Doxygen 1.10.0 -->
<script type="text/javascript">
/* @license magnet:?xt=urn:btih:d3d9a9a6595521f9666a5e94cc830dab83b65699&dn=expat.txt MIT */
var searchBox = new SearchBox("searchBox", "search/",'.html');
/* @license-end */
</script>
<script type="text/javascript" src="menudata.js"></script>
<script type="text/javascript" src="menu.js"></script>
<script type="text/javascript">
/* @license magnet:?xt=urn:btih:d3d9a9a6595521f9666a5e94cc830dab83b65699&dn=expat.txt MIT */
$(function() {
initMenu('',true,false,'search.php','Search');
$(function() { init_search(); });
});
/* @license-end */
</script>
<div id="main-nav"></div>
<!-- window showing the filter options -->
<div id="MSearchSelectWindow"
onmouseover="return searchBox.OnSearchSelectShow()"
onmouseout="return searchBox.OnSearchSelectHide()"
onkeydown="return searchBox.OnSearchSelectKey(event)">
</div>
<!-- iframe showing the search results (closed by default) -->
<div id="MSearchResultsWindow">
<div id="MSearchResults">
<div class="SRPage">
<div id="SRIndex">
<div id="SRResults"></div>
<div class="SRStatus" id="Loading">Loading...</div>
<div class="SRStatus" id="Searching">Searching...</div>
<div class="SRStatus" id="NoMatches">No Matches</div>
</div>
</div>
</div>
</div>
<div id="nav-path" class="navpath">
<ul>
<li class="navelem"><a class="el" href="dir_74c2a4b3b0df7b8317fa7dedf91a69e4.html">xtp</a></li><li class="navelem"><a class="el" href="dir_3489e15c017b429959a02dd599b4e43d.html">include</a></li><li class="navelem"><a class="el" href="dir_2564c6c32436e6b4ba32b4742cceef84.html">votca</a></li><li class="navelem"><a class="el" href="dir_ecad8a17c1b94dc5d36f1b2896e388f8.html">xtp</a></li> </ul>
</div>
</div><!-- top -->
<div class="header">
<div class="summary">
<a href="#nested-classes">Classes</a> |
<a href="#namespaces">Namespaces</a> |
<a href="#define-members">Macros</a> </div>
<div class="headertitle"><div class="title">IndexParser.h File Reference</div></div>
</div><!--header-->
<div class="contents">
<div class="textblock"><code>#include <string></code><br />
<code>#include <vector></code><br />
<code>#include <<a class="el" href="types_8h_source.html">votca/tools/types.h</a>></code><br />
</div><div class="textblock"><div class="dynheader">
Include dependency graph for IndexParser.h:</div>
<div class="dyncontent">
<div class="center"><img src="IndexParser_8h__incl.png" border="0" usemap="#axtp_2include_2votca_2xtp_2IndexParser_8h" alt=""/></div>
<map name="axtp_2include_2votca_2xtp_2IndexParser_8h" id="axtp_2include_2votca_2xtp_2IndexParser_8h">
<area shape="rect" title=" " alt="" coords="193,5,351,50"/>
<area shape="rect" title=" " alt="" coords="159,98,217,126"/>
<area shape="poly" title=" " alt="" coords="252,52,214,89,210,85,248,48"/>
<area shape="rect" title=" " alt="" coords="241,98,303,126"/>
<area shape="poly" title=" " alt="" coords="275,50,275,82,269,82,269,50"/>
<area shape="rect" href="types_8h.html" title=" " alt="" coords="327,98,473,126"/>
<area shape="poly" title=" " alt="" coords="307,48,368,87,365,92,304,53"/>
<area shape="rect" href="tools_2include_2votca_2tools_2eigen_8h.html" title=" " alt="" coords="365,174,435,201"/>
<area shape="poly" title=" " alt="" coords="403,126,403,158,397,158,397,126"/>
<area shape="rect" href="votca__tools__config_8h.html" title=" " alt="" coords="5,258,160,286"/>
<area shape="poly" title=" " alt="" coords="365,200,149,256,148,251,364,195"/>
<area shape="rect" title=" " alt="" coords="183,258,281,286"/>
<area shape="poly" title=" " alt="" coords="374,204,273,253,271,248,372,200"/>
<area shape="rect" title=" " alt="" coords="305,249,495,294"/>
<area shape="poly" title=" " alt="" coords="403,202,403,233,397,233,397,202"/>
<area shape="rect" title=" " alt="" coords="519,258,689,286"/>
<area shape="poly" title=" " alt="" coords="434,199,558,249,556,254,432,204"/>
<area shape="rect" title=" " alt="" coords="713,249,903,294"/>
<area shape="poly" title=" " alt="" coords="435,193,698,246,697,251,434,198"/>
</map>
</div>
</div><div class="textblock"><div class="dynheader">
This graph shows which files directly or indirectly include this file:</div>
<div class="dyncontent">
<div class="center"><img src="IndexParser_8h__dep__incl.png" border="0" usemap="#axtp_2include_2votca_2xtp_2IndexParser_8hdep" alt=""/></div>
<map name="axtp_2include_2votca_2xtp_2IndexParser_8hdep" id="axtp_2include_2votca_2xtp_2IndexParser_8hdep">
<area shape="rect" title=" " alt="" coords="1464,5,1622,50"/>
<area shape="rect" href="qmfragment_8h.html" title=" " alt="" coords="949,98,1108,143"/>
<area shape="poly" title=" " alt="" coords="1449,45,1295,70,1121,101,1109,103,1108,98,1120,95,1294,64,1448,40"/>
<area shape="rect" href="IndexParser_8cc.html" title=" " alt="" coords="1132,107,1336,134"/>
<area shape="poly" title=" " alt="" coords="1455,57,1280,108,1278,103,1454,52"/>
<area shape="rect" href="dftengine_8cc.html" title=" " alt="" coords="1360,98,1532,143"/>
<area shape="poly" title=" " alt="" coords="1511,63,1471,99,1467,96,1507,59"/>
<area shape="rect" href="embeddingengine_8cc.html" title=" " alt="" coords="1556,98,1728,143"/>
<area shape="poly" title=" " alt="" coords="1580,59,1620,96,1616,99,1576,63"/>
<area shape="rect" href="gw_8cc.html" title=" " alt="" coords="1751,98,1903,143"/>
<area shape="poly" title=" " alt="" coords="1627,53,1760,95,1758,100,1625,58"/>
<area shape="rect" href="qmmm_8cc.html" title=" " alt="" coords="1928,98,2129,143"/>
<area shape="poly" title=" " alt="" coords="1638,44,1928,98,1927,103,1637,49"/>
<area shape="rect" href="espfit_8h.html" title=" " alt="" coords="775,191,933,235"/>
<area shape="poly" title=" " alt="" coords="974,153,897,193,894,188,972,148"/>
<area shape="rect" href="fcddiabatization_8h.html" title=" " alt="" coords="592,191,750,235"/>
<area shape="poly" title=" " alt="" coords="935,148,751,194,750,189,934,143"/>
<area shape="rect" href="diabatization_8h.html" title=" " alt="" coords="47,283,189,328"/>
<area shape="poly" title=" " alt="" coords="934,136,769,160,581,193,391,237,202,286,190,289,189,284,201,281,390,231,580,188,768,155,934,131"/>
<area shape="rect" href="gwbse_8h.html" title=" " alt="" coords="2296,191,2454,235"/>
<area shape="poly" title=" " alt="" coords="1123,140,1381,163,1717,183,2296,206,2296,212,1717,188,1380,169,1123,145"/>
<area shape="rect" href="populationanalysis_8h.html" title=" " alt="" coords="1007,191,1167,235"/>
<area shape="poly" title=" " alt="" coords="1053,154,1076,189,1071,192,1048,157"/>
<area shape="rect" href="bse_8cc.html" title=" " alt="" coords="892,283,1045,328"/>
<area shape="poly" title=" " alt="" coords="1012,158,998,192,984,241,975,284,969,282,978,239,993,190,1007,156"/>
<area shape="rect" href="DeltaQ__filter_8h.html" title=" " alt="" coords="1394,191,1575,235"/>
<area shape="poly" title=" " alt="" coords="1124,141,1394,193,1393,198,1123,146"/>
<area shape="rect" href="Localisation__filter_8h.html" title=" " alt="" coords="1598,191,1779,235"/>
<area shape="poly" title=" " alt="" coords="1124,140,1254,157,1357,165,1459,172,1588,188,1598,190,1598,195,1587,193,1458,177,1357,170,1254,163,1123,146"/>
<area shape="rect" href="esp2multipole_8h.html" title=" " alt="" coords="213,283,372,328"/>
<area shape="poly" title=" " alt="" coords="760,238,653,254,570,262,487,270,384,286,373,288,372,283,383,281,487,265,569,257,652,248,759,233"/>
<area shape="rect" href="esp2multipole_8cc.html" title=" " alt="" coords="745,385,966,412"/>
<area shape="poly" title=" " alt="" coords="857,251,858,384,852,384,851,251"/>
<area shape="rect" href="espfit_8cc.html" title=" " alt="" coords="396,292,560,320"/>
<area shape="poly" title=" " alt="" coords="760,240,533,294,532,289,759,234"/>
<area shape="poly" title=" " alt="" coords="387,326,582,358,748,381,748,387,581,364,386,331"/>
<area shape="rect" href="eqm_8cc.html" title=" " alt="" coords="1589,376,1791,421"/>
<area shape="poly" title=" " alt="" coords="387,326,647,349,987,368,1589,391,1589,397,987,373,646,354,387,331"/>
<area shape="rect" href="partialcharges_8h.html" title=" " alt="" coords="221,376,364,421"/>
<area shape="poly" title=" " alt="" coords="295,344,295,376,290,376,290,344"/>
<area shape="rect" href="toolfactory_8cc.html" title=" " alt="" coords="154,469,322,513"/>
<area shape="poly" title=" " alt="" coords="274,435,253,470,248,467,269,433"/>
<area shape="rect" href="fcddiabatization_8cc.html" title=" " alt="" coords="584,292,817,320"/>
<area shape="poly" title=" " alt="" coords="685,249,699,290,694,292,680,251"/>
<area shape="poly" title=" " alt="" coords="577,228,402,252,202,286,190,289,189,283,201,281,402,247,576,223"/>
<area shape="poly" title=" " alt="" coords="142,340,226,467,222,470,138,342"/>
<area shape="rect" href="diabatization_8cc.html" title=" " alt="" coords="5,376,148,421"/>
<area shape="poly" title=" " alt="" coords="104,343,89,377,84,375,99,341"/>
<area shape="rect" href="gwbse_8cc.html" title=" " alt="" coords="2836,283,2989,328"/>
<area shape="poly" title=" " alt="" coords="2470,224,2636,248,2825,281,2836,283,2835,288,2824,286,2635,253,2469,229"/>
<area shape="rect" href="gwbseengine_8cc.html" title=" " alt="" coords="1994,283,2146,328"/>
<area shape="poly" title=" " alt="" coords="2288,243,2144,285,2142,280,2287,238"/>
<area shape="rect" href="eqm_8h.html" title=" " alt="" coords="2385,283,2587,328"/>
<area shape="poly" title=" " alt="" coords="2415,243,2461,281,2458,285,2411,247"/>
<area shape="rect" href="iqm_8h.html" title=" " alt="" coords="2611,283,2812,328"/>
<area shape="poly" title=" " alt="" coords="2470,237,2631,280,2630,285,2469,242"/>
<area shape="rect" href="qmregion_8cc.html" title=" " alt="" coords="2171,292,2361,320"/>
<area shape="poly" title=" " alt="" coords="2340,247,2283,293,2280,289,2336,243"/>
<area shape="poly" title=" " alt="" coords="2370,331,2049,369,1791,392,1791,387,2049,364,2370,326"/>
<area shape="rect" href="jobcalculatorfactory_8cc.html" title=" " alt="" coords="2407,376,2578,421"/>
<area shape="poly" title=" " alt="" coords="2491,343,2494,376,2488,376,2486,344"/>
<area shape="poly" title=" " alt="" coords="2646,337,2546,378,2544,373,2644,332"/>
<area shape="rect" href="iqm_8cc.html" title=" " alt="" coords="2611,376,2812,421"/>
<area shape="poly" title=" " alt="" coords="2714,344,2714,376,2709,376,2709,344"/>
<area shape="poly" title=" " alt="" coords="1089,251,1080,292,1071,312,1058,330,1035,350,1009,366,952,386,950,381,1007,361,1032,346,1055,326,1067,309,1075,290,1083,250"/>
<area shape="poly" title=" " alt="" coords="992,239,757,294,756,289,991,234"/>
<area shape="poly" title=" " alt="" coords="1049,247,998,285,995,281,1045,243"/>
<area shape="rect" href="populationanalysis_8cc.html" title=" " alt="" coords="1119,292,1370,320"/>
<area shape="poly" title=" " alt="" coords="1139,241,1223,289,1220,294,1137,246"/>
<area shape="rect" href="DeltaQ__filter_8cc.html" title=" " alt="" coords="1394,283,1575,328"/>
<area shape="poly" title=" " alt="" coords="1183,233,1394,281,1393,286,1182,238"/>
<area shape="rect" href="Localisation__filter_8cc.html" title=" " alt="" coords="1598,283,1779,328"/>
<area shape="poly" title=" " alt="" coords="1183,223,1371,247,1588,281,1598,283,1597,288,1587,286,1370,253,1183,228"/>
<area shape="poly" title=" " alt="" coords="1487,251,1487,283,1482,283,1482,251"/>
<area shape="rect" href="filterfactory_8cc.html" title=" " alt="" coords="1802,283,1970,328"/>
<area shape="poly" title=" " alt="" coords="1590,235,1802,283,1801,288,1589,241"/>
<area shape="poly" title=" " alt="" coords="1691,251,1691,283,1686,283,1686,251"/>
<area shape="poly" title=" " alt="" coords="1751,240,1840,280,1838,285,1748,245"/>
</map>
</div>
</div>
<p><a href="IndexParser_8h_source.html">Go to the source code of this file.</a></p>
<table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="nested-classes" name="nested-classes"></a>
Classes</h2></td></tr>
<tr class="memitem:"><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classvotca_1_1xtp_1_1IndexParser.html">votca::xtp::IndexParser</a></td></tr>
<tr class="separator:"><td class="memSeparator" colspan="2"> </td></tr>
</table><table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="namespaces" name="namespaces"></a>
Namespaces</h2></td></tr>
<tr class="memitem:namespacevotca" id="r_namespacevotca"><td class="memItemLeft" align="right" valign="top">namespace  </td><td class="memItemRight" valign="bottom"><a class="el" href="namespacevotca.html">votca</a></td></tr>
<tr class="memdesc:namespacevotca"><td class="mdescLeft"> </td><td class="mdescRight">base class for all analysis tools <br /></td></tr>
<tr class="separator:"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:namespacevotca_1_1xtp" id="r_namespacevotca_1_1xtp"><td class="memItemLeft" align="right" valign="top">namespace  </td><td class="memItemRight" valign="bottom"><a class="el" href="namespacevotca_1_1xtp.html">votca::xtp</a></td></tr>
<tr class="memdesc:namespacevotca_1_1xtp"><td class="mdescLeft"> </td><td class="mdescRight">Charge transport classes. <br /></td></tr>
<tr class="separator:"><td class="memSeparator" colspan="2"> </td></tr>
</table><table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a id="define-members" name="define-members"></a>
Macros</h2></td></tr>
<tr class="memitem:a48eca1f84e87f24627765b690d2e5d2d" id="r_a48eca1f84e87f24627765b690d2e5d2d"><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="#a48eca1f84e87f24627765b690d2e5d2d">VOTCA_XTP_INDEXPARSER_H</a></td></tr>
<tr class="separator:a48eca1f84e87f24627765b690d2e5d2d"><td class="memSeparator" colspan="2"> </td></tr>
</table>
<h2 class="groupheader">Macro Definition Documentation</h2>
<a id="a48eca1f84e87f24627765b690d2e5d2d" name="a48eca1f84e87f24627765b690d2e5d2d"></a>
<h2 class="memtitle"><span class="permalink"><a href="#a48eca1f84e87f24627765b690d2e5d2d">◆ </a></span>VOTCA_XTP_INDEXPARSER_H</h2>
<div class="memitem">
<div class="memproto">
<table class="memname">
<tr>
<td class="memname">#define VOTCA_XTP_INDEXPARSER_H</td>
</tr>
</table>
</div><div class="memdoc">
<p class="definition">Definition at line <a class="el" href="IndexParser_8h_source.html#l00022">22</a> of file <a class="el" href="IndexParser_8h_source.html">IndexParser.h</a>.</p>
</div>
</div>
</div><!-- contents -->
<!-- start footer part -->
<hr class="footer"/><address class="footer"><small>
Generated by <a href="https://www.doxygen.org/index.html"><img class="footer" src="doxygen.svg" width="104" height="31" alt="doxygen"/></a> 1.10.0
</small></address>
</body>
</html>