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<div id="projectname">dcdfort
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<div id="projectbrief">Modern Fortran library for analyzing DCD trajectories</div>
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<li class="navelem"><a class="el" href="namespacedcdfort__trajectory.html">dcdfort_trajectory</a></li><li class="navelem"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html">trajectory</a></li> </ul>
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<a href="#pub-methods">Public Member Functions</a> |
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<div class="title">dcdfort_trajectory::trajectory Type Reference</div> </div>
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<p>Trajectory class.
<a href="structdcdfort__trajectory_1_1trajectory.html#details">More...</a></p>
<table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a name="pub-methods"></a>
Public Member Functions</h2></td></tr>
<tr class="memitem:ac721e469da3345e1138836a6a4772748"><td class="memItemLeft" align="right" valign="top"><a id="ac721e469da3345e1138836a6a4772748"></a>
procedure </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#ac721e469da3345e1138836a6a4772748">open</a> => <a class="el" href="namespacedcdfort__trajectory.html#ad701a7860faa3c12471d07b8e719c6d3">trajectory_open</a></td></tr>
<tr class="memdesc:ac721e469da3345e1138836a6a4772748"><td class="mdescLeft"> </td><td class="mdescRight">Trajectory class method which opens DCD file and optionally index file. <br /></td></tr>
<tr class="separator:ac721e469da3345e1138836a6a4772748"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a1ebba16efc2f2b06b2f66deae2937390"><td class="memItemLeft" align="right" valign="top"><a id="a1ebba16efc2f2b06b2f66deae2937390"></a>
procedure </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#a1ebba16efc2f2b06b2f66deae2937390">read_next</a> => <a class="el" href="namespacedcdfort__trajectory.html#add404dcb115dc596057d529b28114a59">trajectory_read_next</a></td></tr>
<tr class="memdesc:a1ebba16efc2f2b06b2f66deae2937390"><td class="mdescLeft"> </td><td class="mdescRight">Trajectory class method which reads a specified number of frames into memory after using the <a class="el" href="structdcdfort__trajectory_1_1trajectory.html#ac721e469da3345e1138836a6a4772748" title="Trajectory class method which opens DCD file and optionally index file. ">open()</a> method. <br /></td></tr>
<tr class="separator:a1ebba16efc2f2b06b2f66deae2937390"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a318b20a1025ae37570fbfd78a9a77e86"><td class="memItemLeft" align="right" valign="top"><a id="a318b20a1025ae37570fbfd78a9a77e86"></a>
procedure </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#a318b20a1025ae37570fbfd78a9a77e86">skip_next</a> => <a class="el" href="namespacedcdfort__trajectory.html#ae8c077662b2326c3a897bd08ad5d420f">trajectory_skip_next</a></td></tr>
<tr class="memdesc:a318b20a1025ae37570fbfd78a9a77e86"><td class="mdescLeft"> </td><td class="mdescRight">Trajectory class method which skips a specified number of frames. <br /></td></tr>
<tr class="separator:a318b20a1025ae37570fbfd78a9a77e86"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a0120f4ea727921609805b9f633d4cfd6"><td class="memItemLeft" align="right" valign="top"><a id="a0120f4ea727921609805b9f633d4cfd6"></a>
procedure </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#a0120f4ea727921609805b9f633d4cfd6">close</a> => <a class="el" href="namespacedcdfort__trajectory.html#ae836e28996d19b120fea3219af8a102d">trajectory_close</a></td></tr>
<tr class="memdesc:a0120f4ea727921609805b9f633d4cfd6"><td class="mdescLeft"> </td><td class="mdescRight">Trajectory class method which closes a DCD file which was opened with <a class="el" href="structdcdfort__trajectory_1_1trajectory.html#ac721e469da3345e1138836a6a4772748" title="Trajectory class method which opens DCD file and optionally index file. ">open()</a> <br /></td></tr>
<tr class="separator:a0120f4ea727921609805b9f633d4cfd6"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:af4f10aacfd7f3b7d7b6905d92bcc1c63"><td class="memItemLeft" align="right" valign="top"><a id="af4f10aacfd7f3b7d7b6905d92bcc1c63"></a>
procedure </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#af4f10aacfd7f3b7d7b6905d92bcc1c63">read</a> => <a class="el" href="namespacedcdfort__trajectory.html#af98b3b409501d01657d7cd60c54603e0">trajectory_read</a></td></tr>
<tr class="memdesc:af4f10aacfd7f3b7d7b6905d92bcc1c63"><td class="mdescLeft"> </td><td class="mdescRight">Trajectory class method which opens, reads, and closes a trajectory file. <br /></td></tr>
<tr class="separator:af4f10aacfd7f3b7d7b6905d92bcc1c63"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a62167d7232406b232cfd3e869d92936f"><td class="memItemLeft" align="right" valign="top"><a id="a62167d7232406b232cfd3e869d92936f"></a>
procedure </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#a62167d7232406b232cfd3e869d92936f">x</a> => <a class="el" href="namespacedcdfort__trajectory.html#a280613c51e6299b81b0b88d545b2e1bd">trajectory_get_xyz</a></td></tr>
<tr class="memdesc:a62167d7232406b232cfd3e869d92936f"><td class="mdescLeft"> </td><td class="mdescRight">Trajectory class method which returns the coordinates of a particle. <br /></td></tr>
<tr class="separator:a62167d7232406b232cfd3e869d92936f"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aed969082b5baa9a61a1a4ceafa46dc21"><td class="memItemLeft" align="right" valign="top"><a id="aed969082b5baa9a61a1a4ceafa46dc21"></a>
procedure </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#aed969082b5baa9a61a1a4ceafa46dc21">box</a> => <a class="el" href="namespacedcdfort__trajectory.html#a420c53808653072d326504cc30c6a977">trajectory_get_box</a></td></tr>
<tr class="memdesc:aed969082b5baa9a61a1a4ceafa46dc21"><td class="mdescLeft"> </td><td class="mdescRight">Trajectory class method which returns the box from a simulation frame. <br /></td></tr>
<tr class="separator:aed969082b5baa9a61a1a4ceafa46dc21"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a327f50e22ad8a9c8dc8a14045a8f4299"><td class="memItemLeft" align="right" valign="top"><a id="a327f50e22ad8a9c8dc8a14045a8f4299"></a>
procedure </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#a327f50e22ad8a9c8dc8a14045a8f4299">natoms</a> => <a class="el" href="namespacedcdfort__trajectory.html#a37a7c3c90c012343c280d1b969701d57">trajectory_get_natoms</a></td></tr>
<tr class="memdesc:a327f50e22ad8a9c8dc8a14045a8f4299"><td class="mdescLeft"> </td><td class="mdescRight">Trajectory class method which gets the number of atoms in the system or an index group. <br /></td></tr>
<tr class="separator:a327f50e22ad8a9c8dc8a14045a8f4299"><td class="memSeparator" colspan="2"> </td></tr>
</table><table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a name="pub-attribs"></a>
Public Attributes</h2></td></tr>
<tr class="memitem:a7cdc2749c9ef7c33f9a927154a774188"><td class="memItemLeft" align="right" valign="top"><a id="a7cdc2749c9ef7c33f9a927154a774188"></a>
integer </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#a7cdc2749c9ef7c33f9a927154a774188">nframes</a></td></tr>
<tr class="memdesc:a7cdc2749c9ef7c33f9a927154a774188"><td class="mdescLeft"> </td><td class="mdescRight">number of trajectory frames (snapshots) in Trajectory object <br /></td></tr>
<tr class="separator:a7cdc2749c9ef7c33f9a927154a774188"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a88dc87c7cd778866f40c8d0911edf487"><td class="memItemLeft" align="right" valign="top"><a id="a88dc87c7cd778866f40c8d0911edf487"></a>
integer </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#a88dc87c7cd778866f40c8d0911edf487">istart</a></td></tr>
<tr class="memdesc:a88dc87c7cd778866f40c8d0911edf487"><td class="mdescLeft"> </td><td class="mdescRight">timestep of first frame in trajectory file <br /></td></tr>
<tr class="separator:a88dc87c7cd778866f40c8d0911edf487"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a9003da213939cefbe51adf84e45fbf00"><td class="memItemLeft" align="right" valign="top"><a id="a9003da213939cefbe51adf84e45fbf00"></a>
integer </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#a9003da213939cefbe51adf84e45fbf00">iend</a></td></tr>
<tr class="memdesc:a9003da213939cefbe51adf84e45fbf00"><td class="mdescLeft"> </td><td class="mdescRight">timestep of last frame in trajectory file <br /></td></tr>
<tr class="separator:a9003da213939cefbe51adf84e45fbf00"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aca23a2723d1345f7d9c9ec2d300b8e1b"><td class="memItemLeft" align="right" valign="top"><a id="aca23a2723d1345f7d9c9ec2d300b8e1b"></a>
integer </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#aca23a2723d1345f7d9c9ec2d300b8e1b">nevery</a></td></tr>
<tr class="memdesc:aca23a2723d1345f7d9c9ec2d300b8e1b"><td class="mdescLeft"> </td><td class="mdescRight">frequency trajectory was saved (in time steps) <br /></td></tr>
<tr class="separator:aca23a2723d1345f7d9c9ec2d300b8e1b"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a0dafba47afd0ab11eaf4f934a14f844f"><td class="memItemLeft" align="right" valign="top"><a id="a0dafba47afd0ab11eaf4f934a14f844f"></a>
real </td><td class="memItemRight" valign="bottom"><a class="el" href="structdcdfort__trajectory_1_1trajectory.html#a0dafba47afd0ab11eaf4f934a14f844f">timestep</a></td></tr>
<tr class="memdesc:a0dafba47afd0ab11eaf4f934a14f844f"><td class="mdescLeft"> </td><td class="mdescRight">simulation time step <br /></td></tr>
<tr class="separator:a0dafba47afd0ab11eaf4f934a14f844f"><td class="memSeparator" colspan="2"> </td></tr>
</table>
<a name="details" id="details"></a><h2 class="groupheader">Detailed Description</h2>
<div class="textblock"><p>Trajectory class. </p>
</div><hr/>The documentation for this type was generated from the following file:<ul>
<li>home/wes/Documents/programs/dcdfort/src/<a class="el" href="trajectory_8f90.html">trajectory.f90</a></li>
</ul>
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