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25 <div class="refentry">
26 <a name="boost.numeric.odeint.velocity_verlet"></a><div class="titlepage"></div>
27 <div class="refnamediv">
28 <h2><span class="refentrytitle">Class template velocity_verlet</span></h2>
29 <p>boost::numeric::odeint::velocity_verlet — The Velocity-Verlet algorithm. </p>
31 <h2 xmlns:rev="http://www.cs.rpi.edu/~gregod/boost/tools/doc/revision" class="refsynopsisdiv-title">Synopsis</h2>
32 <div xmlns:rev="http://www.cs.rpi.edu/~gregod/boost/tools/doc/revision" class="refsynopsisdiv"><pre class="synopsis"><span class="comment">// In header: <<a class="link" href="../../../header/boost/numeric/odeint/stepper/velocity_verlet_hpp.html" title="Header <boost/numeric/odeint/stepper/velocity_verlet.hpp>">boost/numeric/odeint/stepper/velocity_verlet.hpp</a>>
34 </span><span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> Coor<span class="special">,</span> <span class="keyword">typename</span> Velocity <span class="special">=</span> <span class="identifier">Coor</span><span class="special">,</span> <span class="keyword">typename</span> Value <span class="special">=</span> <span class="keyword">double</span><span class="special">,</span>
35 <span class="keyword">typename</span> Acceleration <span class="special">=</span> <span class="identifier">Coor</span><span class="special">,</span> <span class="keyword">typename</span> Time <span class="special">=</span> <span class="identifier">Value</span><span class="special">,</span>
36 <span class="keyword">typename</span> TimeSq <span class="special">=</span> <span class="identifier">Time</span><span class="special">,</span>
37 <span class="keyword">typename</span> Algebra <span class="special">=</span> <span class="keyword">typename</span> <span class="identifier">algebra_dispatcher</span><span class="special"><</span> <span class="identifier">Coor</span> <span class="special">></span><span class="special">::</span><span class="identifier">algebra_type</span><span class="special">,</span>
38 <span class="keyword">typename</span> Operations <span class="special">=</span> <span class="keyword">typename</span> <span class="identifier">operations_dispatcher</span><span class="special"><</span> <span class="identifier">Coor</span> <span class="special">></span><span class="special">::</span><span class="identifier">operations_type</span><span class="special">,</span>
39 <span class="keyword">typename</span> Resizer <span class="special">=</span> <span class="identifier">initially_resizer</span><span class="special">></span>
40 <span class="keyword">class</span> <a class="link" href="velocity_verlet.html" title="Class template velocity_verlet">velocity_verlet</a> <span class="special">:</span> <span class="keyword">public</span> <span class="identifier">algebra_stepper_base</span><span class="special"><</span> <span class="identifier">Algebra</span><span class="special">,</span> <span class="identifier">Operations</span> <span class="special">></span> <span class="special">{</span>
41 <span class="keyword">public</span><span class="special">:</span>
42 <span class="comment">// types</span>
43 <span class="keyword">typedef</span> <span class="identifier">algebra_stepper_base</span><span class="special"><</span> <span class="identifier">Algebra</span><span class="special">,</span> <span class="identifier">Operations</span> <span class="special">></span> <a name="boost.numeric.odeint.velocity_verlet.algebra_stepper_base_type"></a><span class="identifier">algebra_stepper_base_type</span><span class="special">;</span>
44 <span class="keyword">typedef</span> <span class="identifier">algebra_stepper_base_type</span><span class="special">::</span><span class="identifier">algebra_type</span> <a name="boost.numeric.odeint.velocity_verlet.algebra_type"></a><span class="identifier">algebra_type</span><span class="special">;</span>
45 <span class="keyword">typedef</span> <span class="identifier">algebra_stepper_base_type</span><span class="special">::</span><span class="identifier">operations_type</span> <a name="boost.numeric.odeint.velocity_verlet.operations_type"></a><span class="identifier">operations_type</span><span class="special">;</span>
46 <span class="keyword">typedef</span> <span class="identifier">Coor</span> <a name="boost.numeric.odeint.velocity_verlet.coor_type"></a><span class="identifier">coor_type</span><span class="special">;</span>
47 <span class="keyword">typedef</span> <span class="identifier">Velocity</span> <a name="boost.numeric.odeint.velocity_verlet.velocity_type"></a><span class="identifier">velocity_type</span><span class="special">;</span>
48 <span class="keyword">typedef</span> <span class="identifier">Acceleration</span> <a name="boost.numeric.odeint.velocity_verlet.acceleration_type"></a><span class="identifier">acceleration_type</span><span class="special">;</span>
49 <span class="keyword">typedef</span> <span class="identifier">std</span><span class="special">::</span><span class="identifier">pair</span><span class="special"><</span> <span class="identifier">coor_type</span><span class="special">,</span> <span class="identifier">velocity_type</span> <span class="special">></span> <a name="boost.numeric.odeint.velocity_verlet.state_type"></a><span class="identifier">state_type</span><span class="special">;</span>
50 <span class="keyword">typedef</span> <span class="identifier">std</span><span class="special">::</span><span class="identifier">pair</span><span class="special"><</span> <span class="identifier">velocity_type</span><span class="special">,</span> <span class="identifier">acceleration_type</span> <span class="special">></span> <a name="boost.numeric.odeint.velocity_verlet.deriv_type"></a><span class="identifier">deriv_type</span><span class="special">;</span>
51 <span class="keyword">typedef</span> <span class="identifier">state_wrapper</span><span class="special"><</span> <span class="identifier">acceleration_type</span> <span class="special">></span> <a name="boost.numeric.odeint.velocity_verlet.wrapped_acceleration_type"></a><span class="identifier">wrapped_acceleration_type</span><span class="special">;</span>
52 <span class="keyword">typedef</span> <span class="identifier">Value</span> <a name="boost.numeric.odeint.velocity_verlet.value_type"></a><span class="identifier">value_type</span><span class="special">;</span>
53 <span class="keyword">typedef</span> <span class="identifier">Time</span> <a name="boost.numeric.odeint.velocity_verlet.time_type"></a><span class="identifier">time_type</span><span class="special">;</span>
54 <span class="keyword">typedef</span> <span class="identifier">TimeSq</span> <a name="boost.numeric.odeint.velocity_verlet.time_square_type"></a><span class="identifier">time_square_type</span><span class="special">;</span>
55 <span class="keyword">typedef</span> <span class="identifier">Resizer</span> <a name="boost.numeric.odeint.velocity_verlet.resizer_type"></a><span class="identifier">resizer_type</span><span class="special">;</span>
56 <span class="keyword">typedef</span> <span class="identifier">stepper_tag</span> <a name="boost.numeric.odeint.velocity_verlet.stepper_category"></a><span class="identifier">stepper_category</span><span class="special">;</span>
57 <span class="keyword">typedef</span> <span class="keyword">unsigned</span> <span class="keyword">short</span> <a name="boost.numeric.odeint.velocity_verlet.order_type"></a><span class="identifier">order_type</span><span class="special">;</span>
59 <span class="comment">// <a class="link" href="velocity_verlet.html#boost.numeric.odeint.velocity_verletconstruct-copy-destruct">construct/copy/destruct</a></span>
60 <a class="link" href="velocity_verlet.html#idm45853738341648-bb"><span class="identifier">velocity_verlet</span></a><span class="special">(</span><span class="keyword">const</span> <span class="identifier">algebra_type</span> <span class="special">&</span> <span class="special">=</span> <span class="identifier">algebra_type</span><span class="special">(</span><span class="special">)</span><span class="special">)</span><span class="special">;</span>
62 <span class="comment">// <a class="link" href="velocity_verlet.html#idm45853738398192-bb">public member functions</a></span>
63 <span class="identifier">order_type</span> <a class="link" href="velocity_verlet.html#idm45853738397632-bb"><span class="identifier">order</span></a><span class="special">(</span><span class="keyword">void</span><span class="special">)</span> <span class="keyword">const</span><span class="special">;</span>
64 <span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> System<span class="special">,</span> <span class="keyword">typename</span> StateInOut<span class="special">></span>
65 <span class="keyword">void</span> <a class="link" href="velocity_verlet.html#idm45853738394816-bb"><span class="identifier">do_step</span></a><span class="special">(</span><span class="identifier">System</span><span class="special">,</span> <span class="identifier">StateInOut</span> <span class="special">&</span><span class="special">,</span> <span class="identifier">time_type</span><span class="special">,</span> <span class="identifier">time_type</span><span class="special">)</span><span class="special">;</span>
66 <span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> System<span class="special">,</span> <span class="keyword">typename</span> StateInOut<span class="special">></span>
67 <span class="keyword">void</span> <a class="link" href="velocity_verlet.html#idm45853738386256-bb"><span class="identifier">do_step</span></a><span class="special">(</span><span class="identifier">System</span><span class="special">,</span> <span class="keyword">const</span> <span class="identifier">StateInOut</span> <span class="special">&</span><span class="special">,</span> <span class="identifier">time_type</span><span class="special">,</span> <span class="identifier">time_type</span><span class="special">)</span><span class="special">;</span>
68 <span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> System<span class="special">,</span> <span class="keyword">typename</span> CoorIn<span class="special">,</span> <span class="keyword">typename</span> VelocityIn<span class="special">,</span>
69 <span class="keyword">typename</span> AccelerationIn<span class="special">,</span> <span class="keyword">typename</span> CoorOut<span class="special">,</span> <span class="keyword">typename</span> VelocityOut<span class="special">,</span>
70 <span class="keyword">typename</span> AccelerationOut<span class="special">></span>
71 <span class="keyword">void</span> <a class="link" href="velocity_verlet.html#idm45853738377696-bb"><span class="identifier">do_step</span></a><span class="special">(</span><span class="identifier">System</span><span class="special">,</span> <span class="identifier">CoorIn</span> <span class="keyword">const</span> <span class="special">&</span><span class="special">,</span> <span class="identifier">VelocityIn</span> <span class="keyword">const</span> <span class="special">&</span><span class="special">,</span>
72 <span class="identifier">AccelerationIn</span> <span class="keyword">const</span> <span class="special">&</span><span class="special">,</span> <span class="identifier">CoorOut</span> <span class="special">&</span><span class="special">,</span> <span class="identifier">VelocityOut</span> <span class="special">&</span><span class="special">,</span>
73 <span class="identifier">AccelerationOut</span> <span class="special">&</span><span class="special">,</span> <span class="identifier">time_type</span><span class="special">,</span> <span class="identifier">time_type</span><span class="special">)</span><span class="special">;</span>
74 <span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> StateIn<span class="special">></span> <span class="keyword">void</span> <a class="link" href="velocity_verlet.html#idm45853738363152-bb"><span class="identifier">adjust_size</span></a><span class="special">(</span><span class="keyword">const</span> <span class="identifier">StateIn</span> <span class="special">&</span><span class="special">)</span><span class="special">;</span>
75 <span class="keyword">void</span> <a class="link" href="velocity_verlet.html#idm45853738359536-bb"><span class="identifier">reset</span></a><span class="special">(</span><span class="keyword">void</span><span class="special">)</span><span class="special">;</span>
76 <span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> AccelerationIn<span class="special">></span> <span class="keyword">void</span> <a class="link" href="velocity_verlet.html#idm45853738357152-bb"><span class="identifier">initialize</span></a><span class="special">(</span><span class="keyword">const</span> <span class="identifier">AccelerationIn</span> <span class="special">&</span><span class="special">)</span><span class="special">;</span>
77 <span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> System<span class="special">,</span> <span class="keyword">typename</span> CoorIn<span class="special">,</span> <span class="keyword">typename</span> VelocityIn<span class="special">></span>
78 <span class="keyword">void</span> <a class="link" href="velocity_verlet.html#idm45853738354032-bb"><span class="identifier">initialize</span></a><span class="special">(</span><span class="identifier">System</span><span class="special">,</span> <span class="keyword">const</span> <span class="identifier">CoorIn</span> <span class="special">&</span><span class="special">,</span> <span class="keyword">const</span> <span class="identifier">VelocityIn</span> <span class="special">&</span><span class="special">,</span> <span class="identifier">time_type</span><span class="special">)</span><span class="special">;</span>
79 <span class="keyword">bool</span> <a class="link" href="velocity_verlet.html#idm45853738344624-bb"><span class="identifier">is_initialized</span></a><span class="special">(</span><span class="keyword">void</span><span class="special">)</span> <span class="keyword">const</span><span class="special">;</span>
81 <span class="comment">// <a class="link" href="velocity_verlet.html#idm45853738338416-bb">private member functions</a></span>
82 <span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> System<span class="special">,</span> <span class="keyword">typename</span> CoorIn<span class="special">,</span> <span class="keyword">typename</span> VelocityIn<span class="special">></span>
83 <span class="keyword">void</span> <a class="link" href="velocity_verlet.html#idm45853738337840-bb"><span class="identifier">initialize_acc</span></a><span class="special">(</span><span class="identifier">System</span><span class="special">,</span> <span class="keyword">const</span> <span class="identifier">CoorIn</span> <span class="special">&</span><span class="special">,</span> <span class="keyword">const</span> <span class="identifier">VelocityIn</span> <span class="special">&</span><span class="special">,</span> <span class="identifier">time_type</span><span class="special">)</span><span class="special">;</span>
84 <span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> System<span class="special">,</span> <span class="keyword">typename</span> StateInOut<span class="special">></span>
85 <span class="keyword">void</span> <a class="link" href="velocity_verlet.html#idm45853738332272-bb"><span class="identifier">do_step_v1</span></a><span class="special">(</span><span class="identifier">System</span><span class="special">,</span> <span class="identifier">StateInOut</span> <span class="special">&</span><span class="special">,</span> <span class="identifier">time_type</span><span class="special">,</span> <span class="identifier">time_type</span><span class="special">)</span><span class="special">;</span>
86 <span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> StateIn<span class="special">></span> <span class="keyword">bool</span> <a class="link" href="velocity_verlet.html#idm45853738327264-bb"><span class="identifier">resize_impl</span></a><span class="special">(</span><span class="keyword">const</span> <span class="identifier">StateIn</span> <span class="special">&</span><span class="special">)</span><span class="special">;</span>
87 <span class="identifier">acceleration_type</span> <span class="special">&</span> <a class="link" href="velocity_verlet.html#idm45853738324880-bb"><span class="identifier">get_current_acc</span></a><span class="special">(</span><span class="keyword">void</span><span class="special">)</span><span class="special">;</span>
88 <span class="keyword">const</span> <span class="identifier">acceleration_type</span> <span class="special">&</span> <a class="link" href="velocity_verlet.html#idm45853738323344-bb"><span class="identifier">get_current_acc</span></a><span class="special">(</span><span class="keyword">void</span><span class="special">)</span> <span class="keyword">const</span><span class="special">;</span>
89 <span class="identifier">acceleration_type</span> <span class="special">&</span> <a class="link" href="velocity_verlet.html#idm45853738321520-bb"><span class="identifier">get_old_acc</span></a><span class="special">(</span><span class="keyword">void</span><span class="special">)</span><span class="special">;</span>
90 <span class="keyword">const</span> <span class="identifier">acceleration_type</span> <span class="special">&</span> <a class="link" href="velocity_verlet.html#idm45853738319984-bb"><span class="identifier">get_old_acc</span></a><span class="special">(</span><span class="keyword">void</span><span class="special">)</span> <span class="keyword">const</span><span class="special">;</span>
91 <span class="keyword">void</span> <a class="link" href="velocity_verlet.html#idm45853738318160-bb"><span class="identifier">toggle_current_acc</span></a><span class="special">(</span><span class="keyword">void</span><span class="special">)</span><span class="special">;</span>
93 <span class="comment">// public data members</span>
94 <span class="keyword">static</span> <span class="keyword">const</span> <span class="identifier">order_type</span> <span class="identifier">order_value</span><span class="special">;</span>
95 <span class="special">}</span><span class="special">;</span></pre></div>
96 <div class="refsect1">
97 <a name="idm45221353693056"></a><h2>Description</h2>
98 <p><a href="http://en.wikipedia.org/wiki/Verlet_integration" target="_top">The Velocity-Verlet algorithm</a> is a method for simulation of molecular dynamics systems. It solves the ODE a=f(r,v',t) where r are the coordinates, v are the velocities and a are the accelerations, hence v = dr/dt, a=dv/dt.</p>
101 <div class="refsect2">
102 <a name="idm45221353691312"></a><h3>Template Parameters</h3>
103 <div class="orderedlist"><ol class="orderedlist" type="1">
104 <li class="listitem">
105 <pre class="literallayout"><span class="keyword">typename</span> Coor</pre>
106 <p>The type representing the coordinates. </p>
108 <li class="listitem">
109 <pre class="literallayout"><span class="keyword">typename</span> Velocity <span class="special">=</span> <span class="identifier">Coor</span></pre>
110 <p>The type representing the velocities. </p>
112 <li class="listitem">
113 <pre class="literallayout"><span class="keyword">typename</span> Value <span class="special">=</span> <span class="keyword">double</span></pre>
114 <p>The type value type. </p>
116 <li class="listitem">
117 <pre class="literallayout"><span class="keyword">typename</span> Acceleration <span class="special">=</span> <span class="identifier">Coor</span></pre>
118 <p>The type representing the acceleration. </p>
120 <li class="listitem">
121 <pre class="literallayout"><span class="keyword">typename</span> Time <span class="special">=</span> <span class="identifier">Value</span></pre>
122 <p>The time representing the independent variable - the time. </p>
124 <li class="listitem">
125 <pre class="literallayout"><span class="keyword">typename</span> TimeSq <span class="special">=</span> <span class="identifier">Time</span></pre>
126 <p>The time representing the square of the time. </p>
128 <li class="listitem">
129 <pre class="literallayout"><span class="keyword">typename</span> Algebra <span class="special">=</span> <span class="keyword">typename</span> <span class="identifier">algebra_dispatcher</span><span class="special"><</span> <span class="identifier">Coor</span> <span class="special">></span><span class="special">::</span><span class="identifier">algebra_type</span></pre>
132 <li class="listitem">
133 <pre class="literallayout"><span class="keyword">typename</span> Operations <span class="special">=</span> <span class="keyword">typename</span> <span class="identifier">operations_dispatcher</span><span class="special"><</span> <span class="identifier">Coor</span> <span class="special">></span><span class="special">::</span><span class="identifier">operations_type</span></pre>
134 <p>The operations type. </p>
136 <li class="listitem">
137 <pre class="literallayout"><span class="keyword">typename</span> Resizer <span class="special">=</span> <span class="identifier">initially_resizer</span></pre>
138 <p>The resizer policy type. </p>
142 <div class="refsect2">
143 <a name="idm45221353654336"></a><h3>
144 <a name="boost.numeric.odeint.velocity_verletconstruct-copy-destruct"></a><code class="computeroutput">velocity_verlet</code>
146 construct/copy/destruct</h3>
147 <div class="orderedlist"><ol class="orderedlist" type="1"><li class="listitem">
148 <pre class="literallayout"><a name="idm45853738341648-bb"></a><span class="identifier">velocity_verlet</span><span class="special">(</span><span class="keyword">const</span> <span class="identifier">algebra_type</span> <span class="special">&</span> algebra <span class="special">=</span> <span class="identifier">algebra_type</span><span class="special">(</span><span class="special">)</span><span class="special">)</span><span class="special">;</span></pre>Constructs the <code class="computeroutput"><a class="link" href="velocity_verlet.html" title="Class template velocity_verlet">velocity_verlet</a></code> class. This constructor can be used as a default constructor if the algebra has a default constructor. <p>
150 <div class="variablelist"><table border="0" class="variablelist compact">
152 <col align="left" valign="top">
156 <td><p><span class="term">Parameters:</span></p></td>
157 <td><div class="variablelist"><table border="0" class="variablelist compact">
159 <col align="left" valign="top">
163 <td><p><span class="term"><code class="computeroutput">algebra</code></span></p></td>
164 <td><p>A copy of algebra is made and stored. </p></td>
171 <div class="refsect2">
172 <a name="idm45221353639248"></a><h3>
173 <a name="idm45853738398192-bb"></a><code class="computeroutput">velocity_verlet</code> public member functions</h3>
174 <div class="orderedlist"><ol class="orderedlist" type="1">
175 <li class="listitem">
176 <pre class="literallayout"><span class="identifier">order_type</span> <a name="idm45853738397632-bb"></a><span class="identifier">order</span><span class="special">(</span><span class="keyword">void</span><span class="special">)</span> <span class="keyword">const</span><span class="special">;</span></pre>
179 <div class="variablelist"><table border="0" class="variablelist compact">
181 <col align="left" valign="top">
185 <td><p><span class="term">Returns:</span></p></td>
186 <td><p>Returns the order of the stepper. </p></td>
190 <li class="listitem">
191 <pre class="literallayout"><span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> System<span class="special">,</span> <span class="keyword">typename</span> StateInOut<span class="special">></span>
192 <span class="keyword">void</span> <a name="idm45853738394816-bb"></a><span class="identifier">do_step</span><span class="special">(</span><span class="identifier">System</span> system<span class="special">,</span> <span class="identifier">StateInOut</span> <span class="special">&</span> x<span class="special">,</span> <span class="identifier">time_type</span> t<span class="special">,</span> <span class="identifier">time_type</span> dt<span class="special">)</span><span class="special">;</span></pre>This method performs one step. It transforms the result in-place. <p>It can be used like </p>
193 <pre class="programlisting"><span class="identifier">pair</span><span class="special"><</span> <span class="identifier">coordinates</span> <span class="special">,</span> <span class="identifier">velocities</span> <span class="special">></span> <span class="identifier">state</span><span class="special">;</span>
194 <span class="identifier">stepper</span><span class="special">.</span><span class="identifier">do_step</span><span class="special">(</span> <span class="identifier">sys</span> <span class="special">,</span> <span class="identifier">x</span> <span class="special">,</span> <span class="identifier">t</span> <span class="special">,</span> <span class="identifier">dt</span> <span class="special">)</span><span class="special">;</span>
198 <div class="variablelist"><table border="0" class="variablelist compact">
200 <col align="left" valign="top">
204 <td><p><span class="term">Parameters:</span></p></td>
205 <td><div class="variablelist"><table border="0" class="variablelist compact">
207 <col align="left" valign="top">
212 <td><p><span class="term"><code class="computeroutput">dt</code></span></p></td>
213 <td><p>The step size. </p></td>
216 <td><p><span class="term"><code class="computeroutput">system</code></span></p></td>
217 <td><p>The system function to solve, hence the r.h.s. of the ordinary differential equation. It must fulfill the Second Order System concept. </p></td>
220 <td><p><span class="term"><code class="computeroutput">t</code></span></p></td>
221 <td><p>The value of the time, at which the step should be performed. </p></td>
224 <td><p><span class="term"><code class="computeroutput">x</code></span></p></td>
225 <td><p>The state of the ODE which should be solved. The state is pair of Coor and Velocity. </p></td>
232 <li class="listitem">
233 <pre class="literallayout"><span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> System<span class="special">,</span> <span class="keyword">typename</span> StateInOut<span class="special">></span>
234 <span class="keyword">void</span> <a name="idm45853738386256-bb"></a><span class="identifier">do_step</span><span class="special">(</span><span class="identifier">System</span> system<span class="special">,</span> <span class="keyword">const</span> <span class="identifier">StateInOut</span> <span class="special">&</span> x<span class="special">,</span> <span class="identifier">time_type</span> t<span class="special">,</span> <span class="identifier">time_type</span> dt<span class="special">)</span><span class="special">;</span></pre>This method performs one step. It transforms the result in-place. <p>It can be used like </p>
235 <pre class="programlisting"><span class="identifier">pair</span><span class="special"><</span> <span class="identifier">coordinates</span> <span class="special">,</span> <span class="identifier">velocities</span> <span class="special">></span> <span class="identifier">state</span><span class="special">;</span>
236 <span class="identifier">stepper</span><span class="special">.</span><span class="identifier">do_step</span><span class="special">(</span> <span class="identifier">sys</span> <span class="special">,</span> <span class="identifier">x</span> <span class="special">,</span> <span class="identifier">t</span> <span class="special">,</span> <span class="identifier">dt</span> <span class="special">)</span><span class="special">;</span>
240 <div class="variablelist"><table border="0" class="variablelist compact">
242 <col align="left" valign="top">
246 <td><p><span class="term">Parameters:</span></p></td>
247 <td><div class="variablelist"><table border="0" class="variablelist compact">
249 <col align="left" valign="top">
254 <td><p><span class="term"><code class="computeroutput">dt</code></span></p></td>
255 <td><p>The step size. </p></td>
258 <td><p><span class="term"><code class="computeroutput">system</code></span></p></td>
259 <td><p>The system function to solve, hence the r.h.s. of the ordinary differential equation. It must fulfill the Second Order System concept. </p></td>
262 <td><p><span class="term"><code class="computeroutput">t</code></span></p></td>
263 <td><p>The value of the time, at which the step should be performed. </p></td>
266 <td><p><span class="term"><code class="computeroutput">x</code></span></p></td>
267 <td><p>The state of the ODE which should be solved. The state is pair of Coor and Velocity. </p></td>
274 <li class="listitem">
275 <pre class="literallayout"><span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> System<span class="special">,</span> <span class="keyword">typename</span> CoorIn<span class="special">,</span> <span class="keyword">typename</span> VelocityIn<span class="special">,</span>
276 <span class="keyword">typename</span> AccelerationIn<span class="special">,</span> <span class="keyword">typename</span> CoorOut<span class="special">,</span> <span class="keyword">typename</span> VelocityOut<span class="special">,</span>
277 <span class="keyword">typename</span> AccelerationOut<span class="special">></span>
278 <span class="keyword">void</span> <a name="idm45853738377696-bb"></a><span class="identifier">do_step</span><span class="special">(</span><span class="identifier">System</span> system<span class="special">,</span> <span class="identifier">CoorIn</span> <span class="keyword">const</span> <span class="special">&</span> qin<span class="special">,</span> <span class="identifier">VelocityIn</span> <span class="keyword">const</span> <span class="special">&</span> pin<span class="special">,</span>
279 <span class="identifier">AccelerationIn</span> <span class="keyword">const</span> <span class="special">&</span> ain<span class="special">,</span> <span class="identifier">CoorOut</span> <span class="special">&</span> qout<span class="special">,</span>
280 <span class="identifier">VelocityOut</span> <span class="special">&</span> pout<span class="special">,</span> <span class="identifier">AccelerationOut</span> <span class="special">&</span> aout<span class="special">,</span> <span class="identifier">time_type</span> t<span class="special">,</span>
281 <span class="identifier">time_type</span> dt<span class="special">)</span><span class="special">;</span></pre>This method performs one step. It transforms the result in-place. Additionally to the other methods the coordinates, velocities and accelerations are passed directly to do_step and they are transformed out-of-place. <p>It can be used like </p>
282 <pre class="programlisting"><span class="identifier">coordinates</span> <span class="identifier">qin</span> <span class="special">,</span> <span class="identifier">qout</span><span class="special">;</span>
283 <span class="identifier">velocities</span> <span class="identifier">pin</span> <span class="special">,</span> <span class="identifier">pout</span><span class="special">;</span>
284 <span class="identifier">accelerations</span> <span class="identifier">ain</span><span class="special">,</span> <span class="identifier">aout</span><span class="special">;</span>
285 <span class="identifier">stepper</span><span class="special">.</span><span class="identifier">do_step</span><span class="special">(</span> <span class="identifier">sys</span> <span class="special">,</span> <span class="identifier">qin</span> <span class="special">,</span> <span class="identifier">pin</span> <span class="special">,</span> <span class="identifier">ain</span> <span class="special">,</span> <span class="identifier">qout</span> <span class="special">,</span> <span class="identifier">pout</span> <span class="special">,</span> <span class="identifier">aout</span> <span class="special">,</span> <span class="identifier">t</span> <span class="special">,</span> <span class="identifier">dt</span> <span class="special">)</span><span class="special">;</span>
289 <div class="variablelist"><table border="0" class="variablelist compact">
291 <col align="left" valign="top">
295 <td><p><span class="term">Parameters:</span></p></td>
296 <td><div class="variablelist"><table border="0" class="variablelist compact">
298 <col align="left" valign="top">
303 <td><p><span class="term"><code class="computeroutput">dt</code></span></p></td>
304 <td><p>The step size. </p></td>
307 <td><p><span class="term"><code class="computeroutput">system</code></span></p></td>
308 <td><p>The system function to solve, hence the r.h.s. of the ordinary differential equation. It must fulfill the Second Order System concept. </p></td>
311 <td><p><span class="term"><code class="computeroutput">t</code></span></p></td>
312 <td><p>The value of the time, at which the step should be performed. </p></td>
319 <li class="listitem">
320 <pre class="literallayout"><span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> StateIn<span class="special">></span> <span class="keyword">void</span> <a name="idm45853738363152-bb"></a><span class="identifier">adjust_size</span><span class="special">(</span><span class="keyword">const</span> <span class="identifier">StateIn</span> <span class="special">&</span> x<span class="special">)</span><span class="special">;</span></pre>Adjust the size of all temporaries in the stepper manually. <p>
322 <div class="variablelist"><table border="0" class="variablelist compact">
324 <col align="left" valign="top">
328 <td><p><span class="term">Parameters:</span></p></td>
329 <td><div class="variablelist"><table border="0" class="variablelist compact">
331 <col align="left" valign="top">
335 <td><p><span class="term"><code class="computeroutput">x</code></span></p></td>
336 <td><p>A state from which the size of the temporaries to be resized is deduced. </p></td>
342 <li class="listitem">
343 <pre class="literallayout"><span class="keyword">void</span> <a name="idm45853738359536-bb"></a><span class="identifier">reset</span><span class="special">(</span><span class="keyword">void</span><span class="special">)</span><span class="special">;</span></pre>Resets the internal state of this stepper. After calling this method it is safe to use all <code class="computeroutput">do_step</code> method without explicitly initializing the stepper. </li>
344 <li class="listitem">
345 <pre class="literallayout"><span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> AccelerationIn<span class="special">></span> <span class="keyword">void</span> <a name="idm45853738357152-bb"></a><span class="identifier">initialize</span><span class="special">(</span><span class="keyword">const</span> <span class="identifier">AccelerationIn</span> <span class="special">&</span> ain<span class="special">)</span><span class="special">;</span></pre>Initializes the internal state of the stepper. <p>
348 <li class="listitem">
349 <pre class="literallayout"><span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> System<span class="special">,</span> <span class="keyword">typename</span> CoorIn<span class="special">,</span> <span class="keyword">typename</span> VelocityIn<span class="special">></span>
350 <span class="keyword">void</span> <a name="idm45853738354032-bb"></a><span class="identifier">initialize</span><span class="special">(</span><span class="identifier">System</span> system<span class="special">,</span> <span class="keyword">const</span> <span class="identifier">CoorIn</span> <span class="special">&</span> qin<span class="special">,</span> <span class="keyword">const</span> <span class="identifier">VelocityIn</span> <span class="special">&</span> pin<span class="special">,</span>
351 <span class="identifier">time_type</span> t<span class="special">)</span><span class="special">;</span></pre>Initializes the internal state of the stepper. <p>This method is equivalent to </p>
352 <pre class="programlisting"><span class="identifier">Acceleration</span> <span class="identifier">a</span><span class="special">;</span>
353 <span class="identifier">system</span><span class="special">(</span> <span class="identifier">qin</span> <span class="special">,</span> <span class="identifier">pin</span> <span class="special">,</span> <span class="identifier">a</span> <span class="special">,</span> <span class="identifier">t</span> <span class="special">)</span><span class="special">;</span>
354 <span class="identifier">stepper</span><span class="special">.</span><span class="identifier">initialize</span><span class="special">(</span> <span class="identifier">a</span> <span class="special">)</span><span class="special">;</span>
358 <div class="variablelist"><table border="0" class="variablelist compact">
360 <col align="left" valign="top">
364 <td><p><span class="term">Parameters:</span></p></td>
365 <td><div class="variablelist"><table border="0" class="variablelist compact">
367 <col align="left" valign="top">
372 <td><p><span class="term"><code class="computeroutput">pin</code></span></p></td>
373 <td><p>The current velocities of the ODE. </p></td>
376 <td><p><span class="term"><code class="computeroutput">qin</code></span></p></td>
377 <td><p>The current coordinates of the ODE. </p></td>
380 <td><p><span class="term"><code class="computeroutput">system</code></span></p></td>
381 <td><p>The system function for the next calls of <code class="computeroutput">do_step</code>. </p></td>
384 <td><p><span class="term"><code class="computeroutput">t</code></span></p></td>
385 <td><p>The current time of the ODE. </p></td>
392 <li class="listitem">
393 <pre class="literallayout"><span class="keyword">bool</span> <a name="idm45853738344624-bb"></a><span class="identifier">is_initialized</span><span class="special">(</span><span class="keyword">void</span><span class="special">)</span> <span class="keyword">const</span><span class="special">;</span></pre>
396 <div class="variablelist"><table border="0" class="variablelist compact">
398 <col align="left" valign="top">
402 <td><p><span class="term">Returns:</span></p></td>
403 <td><p>Returns if the stepper is initialized. </p></td>
409 <div class="refsect2">
410 <a name="idm45221353422048"></a><h3>
411 <a name="idm45853738338416-bb"></a><code class="computeroutput">velocity_verlet</code> private member functions</h3>
412 <div class="orderedlist"><ol class="orderedlist" type="1">
413 <li class="listitem"><pre class="literallayout"><span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> System<span class="special">,</span> <span class="keyword">typename</span> CoorIn<span class="special">,</span> <span class="keyword">typename</span> VelocityIn<span class="special">></span>
414 <span class="keyword">void</span> <a name="idm45853738337840-bb"></a><span class="identifier">initialize_acc</span><span class="special">(</span><span class="identifier">System</span> system<span class="special">,</span> <span class="keyword">const</span> <span class="identifier">CoorIn</span> <span class="special">&</span> qin<span class="special">,</span>
415 <span class="keyword">const</span> <span class="identifier">VelocityIn</span> <span class="special">&</span> pin<span class="special">,</span> <span class="identifier">time_type</span> t<span class="special">)</span><span class="special">;</span></pre></li>
416 <li class="listitem"><pre class="literallayout"><span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> System<span class="special">,</span> <span class="keyword">typename</span> StateInOut<span class="special">></span>
417 <span class="keyword">void</span> <a name="idm45853738332272-bb"></a><span class="identifier">do_step_v1</span><span class="special">(</span><span class="identifier">System</span> system<span class="special">,</span> <span class="identifier">StateInOut</span> <span class="special">&</span> x<span class="special">,</span> <span class="identifier">time_type</span> t<span class="special">,</span> <span class="identifier">time_type</span> dt<span class="special">)</span><span class="special">;</span></pre></li>
418 <li class="listitem"><pre class="literallayout"><span class="keyword">template</span><span class="special"><</span><span class="keyword">typename</span> StateIn<span class="special">></span> <span class="keyword">bool</span> <a name="idm45853738327264-bb"></a><span class="identifier">resize_impl</span><span class="special">(</span><span class="keyword">const</span> <span class="identifier">StateIn</span> <span class="special">&</span> x<span class="special">)</span><span class="special">;</span></pre></li>
419 <li class="listitem"><pre class="literallayout"><span class="identifier">acceleration_type</span> <span class="special">&</span> <a name="idm45853738324880-bb"></a><span class="identifier">get_current_acc</span><span class="special">(</span><span class="keyword">void</span><span class="special">)</span><span class="special">;</span></pre></li>
420 <li class="listitem"><pre class="literallayout"><span class="keyword">const</span> <span class="identifier">acceleration_type</span> <span class="special">&</span> <a name="idm45853738323344-bb"></a><span class="identifier">get_current_acc</span><span class="special">(</span><span class="keyword">void</span><span class="special">)</span> <span class="keyword">const</span><span class="special">;</span></pre></li>
421 <li class="listitem"><pre class="literallayout"><span class="identifier">acceleration_type</span> <span class="special">&</span> <a name="idm45853738321520-bb"></a><span class="identifier">get_old_acc</span><span class="special">(</span><span class="keyword">void</span><span class="special">)</span><span class="special">;</span></pre></li>
422 <li class="listitem"><pre class="literallayout"><span class="keyword">const</span> <span class="identifier">acceleration_type</span> <span class="special">&</span> <a name="idm45853738319984-bb"></a><span class="identifier">get_old_acc</span><span class="special">(</span><span class="keyword">void</span><span class="special">)</span> <span class="keyword">const</span><span class="special">;</span></pre></li>
423 <li class="listitem"><pre class="literallayout"><span class="keyword">void</span> <a name="idm45853738318160-bb"></a><span class="identifier">toggle_current_acc</span><span class="special">(</span><span class="keyword">void</span><span class="special">)</span><span class="special">;</span></pre></li>
428 <table xmlns:rev="http://www.cs.rpi.edu/~gregod/boost/tools/doc/revision" width="100%"><tr>
429 <td align="left"></td>
430 <td align="right"><div class="copyright-footer">Copyright © 2009-2015 Karsten Ahnert and Mario Mulansky<p>
431 Distributed under the Boost Software License, Version 1.0. (See accompanying
432 file LICENSE_1_0.txt or copy at <a href="http://www.boost.org/LICENSE_1_0.txt" target="_top">http://www.boost.org/LICENSE_1_0.txt</a>)
437 <div class="spirit-nav">
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