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      <li class="navelem"><a class="el" href="namespaceOpenBabel.shtml">OpenBabel</a>      </li>
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<div class="title">OBForceField Member List</div>  </div>
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<div class="contents">
This is the complete list of members for <a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a>, including all inherited members.<table>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a22f844c60684776be9d47109855e16de">_constraints</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ac7f362c839a5c13c37dcbd43b426516b">_cstep</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab95ae5a13edb24f5d32b01e2098f26df">_current_conformer</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a6664339ecef04e70cd97a0a5738b99c3">_cutoff</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad33cee0e99c32beb8f2b8b05248a085f">_e_n1</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a47292a5e3cad98d5a169bd2c54103d66">_econv</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a304e7d6e8b9b55195148d8ce241c4231">_elepairs</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a7b2ba72f54b74909a53a0548cdf44ce2">_energies</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad7d6ee4569e450185c8e229aa405e138">_fixAtom</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a1c24fef8a19cd43ec17f25b026570ad4">_grad1</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#aa1d49201f58bfcceb6d47593bf360bcd">_gradientPtr</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga1f8d25dafb0bc13814ca451035f67955">_id</a></td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a1a201141d98a5e271d02d2a083bc3a0f">_ignoreAtom</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a40756214f69d1c40ad70b64ae9fdc08d">_init</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a6212b1ca8ff39273ec120c20524deba4">_interGroup</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab3487cbb18bbd78d58a4afa84d65beb4">_interGroups</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad73a3ddc8c65a31256666ba5cd10fcf3">_intraGroup</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#afb076d7d251019d009f919e41161d004">_linesearch</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a158daac1f91a0b0efd242be1bd7c30e4">_logbuf</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a4e929e2f2b2aeb818341fff4bc1d73d0">_loglvl</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#aa5950d373df53720595c030d3db04397">_logos</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5ae66d31df78d115efc8282c8c695c1a">_mol</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab39c453046b3d76a24615c0f4ddb5dc4">_ncoords</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#afe138e40e061c04494421e5513829b37">_nsteps</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a122d15094b107a94e4359e67e0e1f539">_origLogLevel</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a6daefdab547529f4ddee1b729085df82">_pairfreq</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a0ad96c121eb2ab3291c9f348f3e66eb4">_parFile</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a1cb4961672fc9fdbbcc6f77f10328124">_rele</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a1eab6cf4abedfa50bd898b5d8394586a">_rvdw</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a21c5ecf3204a9907236f7596268a76a1">_temp</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a74c5643406e1d2fc9a8ec5a64a746d6f">_timestep</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a2d0a817f871831bed3e700ff65bd32ab">_validSetup</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#acf019f5fea50c00abe4a8eceb1ebefd0">_vdwpairs</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a60c161177d9d80020f3a42d8f5ad2a97">_velocityPtr</a></td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab0b5fe1f004e97857de0cf641b5e3789">AddGradient</a>(double *grad, int idx)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a524b145587c6a1f4f4f4daf96272b898">AddInterGroup</a>(OBBitVec &amp;group)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ac976169598f4df4ab91c669f052a91a6">AddInterGroups</a>(OBBitVec &amp;group1, OBBitVec &amp;group2)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ae9114ec448ff6ffeb4e529aa7fd39f9a">AddIntraGroup</a>(OBBitVec &amp;group)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga1e58b1811ec8c1b88254ee46ccef0b78">BaseFindType</a>(PluginMapType &amp;Map, const char *ID)</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [protected, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga1d4d73999ab0518ee471c635bd0a7e87">Begin</a>(const char *PluginID)</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#afeabf5a9fd6207144ed24a80c39714a2">ClearGradients</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, protected, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a2bae648fc3aade1956399fce8bce98fa">ClearGroups</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a2f2732698efde5c2f155bfac08fd9ded">ConjugateGradients</a>(int steps, double econv=1e-6f, int method=OBFF_ANALYTICAL_GRADIENT)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a7e253a1997cddeb4fd5eaa79e6e42610">ConjugateGradientsInitialize</a>(int steps=1000, double econv=1e-6f, int method=OBFF_ANALYTICAL_GRADIENT)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#aef9f033a26aaedb027c2a99de04a9646">ConjugateGradientsTakeNSteps</a>(int n)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a8c466035b972dddd7f5ebd27f04f685b">CorrectVelocities</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga4a6b8d1611d5d963fc29982cc1ebcbf7">Description</a>()</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a0d97557b9f37191cce473fbfd4636a54">DetectExplosion</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#gae0859fdbf134af95a8231eb32c73b7db">Display</a>(std::string &amp;txt, const char *param, const char *ID=NULL)</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a7b4196fee783bef9070d3d50ba91ff84">DistanceGeometry</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab071cd3395d95bfa4c90cbdc3426c95a">E_Angle</a>(bool gradients=true)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ada5914c7c0927cc9157d404ac175bcce">E_Bond</a>(bool gradients=true)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a7ed5b3a5502abbe3a9931165475905e0">E_Electrostatic</a>(bool gradients=true)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a83d00f6965c92799d4d4a6e488a737e3">E_OOP</a>(bool gradients=true)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a180eb032b11995b3140d54b1fd1ec991">E_StrBnd</a>(bool gradients=true)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#abcf664aaa0bbb807a4f6e3d441d3147a">E_Torsion</a>(bool gradients=true)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a9a27f6899e6a57b234cfe79022ca0d1c">E_VDW</a>(bool gradients=true)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a3545e8d4699a3cd7beba90de2fa7bedc">EnableAllPairs</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#acfbc43a75be62083cb454b62fb7c24fc">EnableCutOff</a>(bool enable)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga9a330280c1cd2e7119dac87a6fd0b762">End</a>(const char *PluginID)</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad9242de2f838fb94efcd85f7182a6f83">Energy</a>(bool gradients=true)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a4d625c122a1c2ed931851331b0243950">FindForceField</a>(const std::string &amp;ID)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a8af11ddb5650f7733164c81da3aacbd8">FindForceField</a>(const char *ID)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga84fc973fdf4bba5a6b0e2d402077991c">FirstLine</a>(const char *txt)</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ae9f7de4324a4a476ca0663772c1a6bfa">GenerateVelocities</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#aa41fd7cce6a9cf2e56ca603de7fbc507">GetAtomTypes</a>(OBMol &amp;mol)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad2cdc7a2d0f83221e9536d391032c6ea">GetConformers</a>(OBMol &amp;mol)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a6b49b3a0f1e2f4b950c61971c2eda257">GetConstraints</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a8be38bcae14834b6849d777e19885955">GetCoordinates</a>(OBMol &amp;mol)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a15a2329a93fec0c5864c6229daf4254f">GetElectrostaticCutOff</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad0da17ffd83c1041f1d0657404b4724d">GetGradient</a>(OBAtom *a, int=OBFF_ENERGY)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, protected, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab1736c0602ea4313ff7602aa948ece82">GetGradientPtr</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5f7ae482e5f2e4f4bda8fc6b6156f2a9">GetGrid</a>(double step, double padding, const char *type, double pchg)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga753a34173c6750388d33e5294556790f">GetID</a>() const </td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#aa0635968faae8eae39c1157f34f1f186">GetLineSearchType</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#aa9927fd2efb61460c8e879f83c0d387e">GetLogLevel</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#gaabc1385cbe63145ffec6edf1f2c3be98">GetMap</a>() const =0</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [pure virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#aa1d27b0f4f43d58d416528cd24215307">GetNumPairs</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad8a19dcfdef3d4cb8a3eea17d3c1f918">GetParameter</a>(int a, int b, int c, int d, std::vector&lt; OBFFParameter &gt; &amp;parameter)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a6d072805c7042da11d4ae8c8319a22f2">GetParameter</a>(const char *a, const char *b, const char *c, const char *d, std::vector&lt; OBFFParameter &gt; &amp;parameter)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a905e6654e8bd06c0e558fa8b45223263">GetParameterIdx</a>(int a, int b, int c, int d, std::vector&lt; OBFFParameter &gt; &amp;parameter)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a06280807851159ac893d3391400861d3">GetPartialCharges</a>(OBMol &amp;mol)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga295dc7f1b94da710821c562bff3e7c97">GetPlugin</a>(const char *Type, const char *ID)</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#gadfcf9fda27cfbc4301fc94517a4250ef">GetTypeMap</a>(const char *PluginID)</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [protected, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a1107abae4af40cd96faa7385b4de79c2">GetUnit</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a80a6e534a8f9a7ba20d4fc25b75c6891">GetUpdateFrequency</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a4109e7005a5eb4c91f10bd68958bfbf7">GetVDWCutOff</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a6bdadd446f41751086aff8c6a4fde5cf">HasAnalyticalGradients</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#af62e7cd1222afc97088ebd1ab795fdf1">HasGroups</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a1a15aa0fc35de803cb02fd0d76931742">IgnoreCalculation</a>(int a, int b)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a642f86408aa78a8909e2661cf34e7460">IgnoreCalculation</a>(int a, int b, int c)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a07190ce19050974e8344af32f874aece">IgnoreCalculation</a>(int a, int b, int c, int d)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga3e0b39e1326de703012f81ac2be7feba">Init</a>()</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a395ba2797e3bc2f4ad4a401b074d0b48">IsCutOffEnabled</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#acafd9be7a3a74bed05e552a20aa0fccf">IsInSameRing</a>(OBAtom *a, OBAtom *b)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a638c3bbd2aff3edd2b372fd087ccf99d">IsSetupNeeded</a>(OBMol &amp;mol)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5f08066361ace92acfa362df93fafd76">LineSearch</a>(OBAtom *atom, vector3 &amp;direction)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab4582129101043340868e2f854db4f1d">LineSearch</a>(double *currentCoords, double *direction)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a1bff17c1e5b29b5635638c6a7633962c">LineSearchTakeStep</a>(double *origCoords, double *direction, double step)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga9fabfd2513038ae6ac475ac0ff2c73cd">List</a>(const char *PluginID, const char *param=NULL, std::ostream *os=&amp;std::cout)</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#gaba22c5352d36c7f058299af7ddffb03e">ListAsString</a>(const char *PluginID, const char *param=NULL)</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#gaf95953a5793333ba51e978c4a0a00103">ListAsVector</a>(const char *PluginID, const char *param, std::vector&lt; std::string &gt; &amp;vlist)</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga9399e9568ab809d714385f1b237a9335">MakeInstance</a>(const std::vector&lt; std::string &gt; &amp;)</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad6b7355f59eca545c6921a7b16ad035b">MakeNewInstance</a>()=0</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [pure virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a52ae121410bc166d73eb4200f6127842">MolecularDynamicsTakeNSteps</a>(int n, double T, double timestep=0.001, int method=OBFF_ANALYTICAL_GRADIENT)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a735079ca73080f12512074483776d7ef">Newton2NumLineSearch</a>(double *direction)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a2a6bafaddf41c8eb9d0bda246bb07c85">NumericalDerivative</a>(OBAtom *a, int terms=OBFF_ENERGY)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a499789742e7b2021f26f8d1cfe04045f">NumericalSecondDerivative</a>(OBAtom *a, int terms=OBFF_ENERGY)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a06249fabc93686f6fa389173bcd2e300">OBFFLog</a>(std::string msg)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a232f01774986e74179b56eb961728a54">OBFFLog</a>(const char *msg)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a4832732ca896c32a5c7cab59513f2190">ParseParamFile</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga8fac85f5497f873a2dd8734b47f0bdc0">PluginIterator</a> typedef</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#gac40457336d7b12bb632b4ac4e8955a3a">PluginMap</a>()</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [inline, protected, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga0fd3c807ed3341c33070c93b14739bc8">PluginMapType</a> typedef</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a95220f9d1cc8cb66548a504c451094c0">PrintFormalCharges</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a12dc30d677cadcf672458a5b60460559">PrintPartialCharges</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5aade506ba2985dc08c1368c01f45b63">PrintTypes</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a336e29059a710e30d98a0d9898a10c63">PrintVector</a>(double *i)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad022f259b6d08561e0c609fdc8484a6a">PrintVelocities</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a3c2aba026c883a8c78a8874a2171cea0">RandomRotorSearch</a>(unsigned int conformers, unsigned int geomSteps=2500)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a3511ce0631f467170ac6d5a9c6d5edde">RandomRotorSearchInitialize</a>(unsigned int conformers, unsigned int geomSteps=2500)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad3435f0ac74b1fad83681bb0cb317616">RandomRotorSearchNextConformer</a>(unsigned int geomSteps=2500)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ac271a3bf117a79400817b696d11ea4a7">SetConformers</a>(OBMol &amp;mol)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ac97dee57cf1c5abbbddff62294a01c3b">SetConstraints</a>(OBFFConstraints &amp;constraints)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a06b2f4ac9f082f41da3ae01d4bb3f1cc">SetCoordinates</a>(OBMol &amp;mol)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a8cd8ec1bf4c4405aa94f3b6b3a86e45e">SetElectrostaticCutOff</a>(double r)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a285bcf84b82ad8ce98fedfdf845fd29a">SetFixAtom</a>(int index)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a0d8cc6c6af6a74b49c13ef35750910c0">SetFormalCharges</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab2ac199e3ef0f47fbdc0365ededfeced">SetGradient</a>(double *grad, int idx)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#adff150aaabc20d030d023fabc67a8936">SetIgnoreAtom</a>(int index)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a303afe5059c4c70d029d160d6369fca7">SetLineSearchType</a>(int type)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#adca43238dd8a76b1f66737b74c1933ee">SetLogFile</a>(std::ostream *pos)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#aad67effdb484585dffa645891d6d8ded">SetLogLevel</a>(int level)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#af264a32549daf4185196ac9d9c074833">SetParameterFile</a>(const std::string &amp;filename)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab6922ea591809c44c1c0d89be3f8b691">SetPartialCharges</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5e025d2eb5240ce5776e5cd4ad54f557">SetTypes</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a85e63dfcf5b43e5ae867815f0398c87e">Setup</a>(OBMol &amp;mol)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a8bc55d583ab340cbbf2c1b787b007ccf">Setup</a>(OBMol &amp;mol, OBFFConstraints &amp;constraints)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#af2662d702c1eb43cc58c30d274712e3f">SetupCalculations</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#af02e18f8a525f1e682b58654656f5d12">SetUpdateFrequency</a>(int f)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a7cf46e58ec76819b7ae31983cfdee9f2">SetupPointers</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a82b6dd2103b4751237474bb3671a4d24">SetVDWCutOff</a>(double r)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a209c761c2f70a11d574a605c6f83921f">SteepestDescent</a>(int steps, double econv=1e-6f, int method=OBFF_ANALYTICAL_GRADIENT)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a6ba7f48a161b7c25d9a8ad661c3c572b">SteepestDescentInitialize</a>(int steps=1000, double econv=1e-6f, int method=OBFF_ANALYTICAL_GRADIENT)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab2cea937bb0224112a6f79758a099932">SteepestDescentTakeNSteps</a>(int n)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a0cd9e722f0f76012921ee143484e3e0a">SystematicRotorSearch</a>(unsigned int geomSteps=2500)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#aa64a24788b054b2b29e98e0552ba27f0">SystematicRotorSearchInitialize</a>(unsigned int geomSteps=2500)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#aece2b94728b7f56b953b1fb7e11d0e18">SystematicRotorSearchNextConformer</a>(unsigned int geomSteps=2500)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a45db88b29eb37e9dd105bf4032e421d2">TypeID</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a6df5d9cd111137994ae597f611ab5d2e">UnsetFixAtom</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a190fd6af7b60752a48c3c95fbcf41697">UnsetIgnoreAtom</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5c29065ad6e1322ade9087657bc576ec">UpdateConformers</a>(OBMol &amp;mol)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab9bff2ca9aad359da6491fa4c3f46577">UpdateCoordinates</a>(OBMol &amp;mol)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a7bc49547f1ea2ebf09864495d324fe67">UpdatePairsSimple</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a591a6c018926edaa3f398ca7134e26c9">Validate</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a91538863099a02a981364ad66f47f4e8">ValidateConjugateGradients</a>(int steps)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ae517465b4ca745841c28cf22db304a7f">ValidateGradientError</a>(vector3 &amp;numgrad, vector3 &amp;anagrad)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5bd73ca104b0fd34659d77a7f9d3a0a4">ValidateGradients</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ac6e66726b2becbbccf39e6d4ecf6ae2e">ValidateLineSearch</a>(OBAtom *atom, vector3 &amp;direction)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a837dd6b4440b4fe77f23976bbdaa64a3">ValidateSteepestDescent</a>(int steps)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a34e901932f48c16a06929d7da9308b98">VectorAdd</a>(double *i, double *j, double *result)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a66aab9d4399b8502d330872181f51429">VectorAngle</a>(double *i, double *j, double *k)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a6c5b48194a0edecff825f246b645d44c">VectorAngleDerivative</a>(double *pos_a, double *pos_b, double *pos_c, double *force_a, double *force_b, double *force_c)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#afe981b8f96a737d0228fbf62c4c94417">VectorAngleDerivative</a>(vector3 &amp;a, vector3 &amp;b, vector3 &amp;c)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab4c518f64fa1e22d82ed6da82d14e4e3">VectorBondDerivative</a>(double *pos_a, double *pos_b, double *force_a, double *force_b)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ae9651eef486a9afd00ef38c972df90f8">VectorClear</a>(double *i)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a12db497d1100ca5a0620ba2076581a63">VectorCopy</a>(double *from, double *to)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a814fd94395b7e2dfe95d78c11eb2a004">VectorCross</a>(double *i, double *j, double *result)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a655c6950fb947600a4ffcbbf5f53fc18">VectorDistance</a>(double *pos_i, double *pos_j)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a974238716b14999015e8150dacba1037">VectorDistanceDerivative</a>(const double *const pos_i, const double *const pos_j, double *force_i, double *force_j)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ac9d079c742232c33bc668f09135ab1a5">VectorDivide</a>(double *i, double n, double *result)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a847a262329a92da08c099830a8431a48">VectorDot</a>(double *i, double *j)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#afa91d516c7ab5c44d0443c15deb62910">VectorLength</a>(double *i)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab451a524c7a4f04bb987b3fac9288eed">VectorLengthDerivative</a>(vector3 &amp;a, vector3 &amp;b)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad3db6d00549c9448579509d878735ec0">VectorMultiply</a>(double *i, double n, double *result)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a33ebd98d01af8308d5b4f0cf0ef3b151">VectorMultiply</a>(const double *const i, const double n, double *result)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a09521bcec46ef53d75215305755a911d">VectorNormalize</a>(double *i)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#af031c62775e4d3374c0504d7af515ee0">VectorOOP</a>(double *i, double *j, double *k, double *l)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a0d4f489e2b0ba2fd1e4a220cebf93f1c">VectorOOPDerivative</a>(double *pos_a, double *pos_b, double *pos_c, double *pos_d, double *force_a, double *force_b, double *force_c, double *force_d)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a4b7e7649d0928a2cb6a2123e3e4dec6f">VectorOOPDerivative</a>(vector3 &amp;a, vector3 &amp;b, vector3 &amp;c, vector3 &amp;d)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a2bd8889c439dd81f3492d409f27e80d4">VectorSelfMultiply</a>(double *i, double n)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ad88b7a26afc5f8b478e299a96d555f14">VectorSubtract</a>(double *i, double *j, double *result)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a19395cf2512e5b3af33f4ea603c18436">VectorSubtract</a>(const double *const i, const double *const j, double *result)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a5a156d1eea0507509cbb7f245999a31b">VectorTorsion</a>(double *i, double *j, double *k, double *l)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#aef595f8b6deb9c2213321352db467e98">VectorTorsionDerivative</a>(double *pos_a, double *pos_b, double *pos_c, double *pos_d, double *force_a, double *force_b, double *force_c, double *force_d)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#a4d4709cf0de47e7c6f44da4e21f20c9f">VectorTorsionDerivative</a>(vector3 &amp;a, vector3 &amp;b, vector3 &amp;c, vector3 &amp;d)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#aabf7fa941ffdd2106f5f82f2afefa33f">WeightedRotorSearch</a>(unsigned int conformers, unsigned int geomSteps)</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab49558e469015d76e7c27ee0cfdf4a75">~OBForceField</a>()</td><td><a class="el" href="classOpenBabel_1_1OBForceField.shtml">OBForceField</a></td><td><code> [inline, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="group__plugins.shtml#ga2f6f0f4ddec879439f78de686c459fb0">~OBPlugin</a>()</td><td><a class="el" href="classOpenBabel_1_1OBPlugin.shtml">OBPlugin</a></td><td><code> [inline, virtual]</code></td></tr>
</table></div>
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