This file is indexed.

/usr/share/doc/psi4/html/index.html is in psi4-data 1:0.3-5.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below.

  1
  2
  3
  4
  5
  6
  7
  8
  9
 10
 11
 12
 13
 14
 15
 16
 17
 18
 19
 20
 21
 22
 23
 24
 25
 26
 27
 28
 29
 30
 31
 32
 33
 34
 35
 36
 37
 38
 39
 40
 41
 42
 43
 44
 45
 46
 47
 48
 49
 50
 51
 52
 53
 54
 55
 56
 57
 58
 59
 60
 61
 62
 63
 64
 65
 66
 67
 68
 69
 70
 71
 72
 73
 74
 75
 76
 77
 78
 79
 80
 81
 82
 83
 84
 85
 86
 87
 88
 89
 90
 91
 92
 93
 94
 95
 96
 97
 98
 99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN"
  "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">


<html xmlns="http://www.w3.org/1999/xhtml">
  <head>
    <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
    
    <title>Programmers’ Manual &mdash; Psi4 [] Docs</title>
    
    <link rel="stylesheet" href="_static/psi4.css" type="text/css" />
    <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
    <link rel="stylesheet" href="./" type="text/css" />
    
    <script type="text/javascript">
      var DOCUMENTATION_OPTIONS = {
        URL_ROOT:    './',
        VERSION:     '',
        COLLAPSE_INDEX: false,
        FILE_SUFFIX: '.html',
        HAS_SOURCE:  true
      };
    </script>
    <script type="text/javascript" src="_static/jquery.js"></script>
    <script type="text/javascript" src="_static/underscore.js"></script>
    <script type="text/javascript" src="_static/doctools.js"></script>
    <script type="text/javascript" src="_static/jquery.cookie.js"></script>
    <script type="text/javascript" src="_static/toggle_sections.js"></script>
    <script type="text/javascript" src="_static/toggle_sidebar.js"></script>
    <script type="text/javascript" src="_static/toggle_codeprompt.js"></script>
    <link rel="shortcut icon" href="_static/favicon-psi4.ico"/>
    <link rel="top" title="Psi4 [] Docs" href="#" />
    <link rel="next" title="Introduction" href="introduction.html" /> 
  </head>
  <body role="document">
    <div class="relbar-top">
        
    <div class="related" role="navigation" aria-label="related navigation">
      <h3>Navigation</h3>
      <ul>
        <li class="right" style="margin-right: 10px">
          <a href="genindex.html" title="General Index"
             accesskey="I">index</a></li>
        <li class="right" >
          <a href="py-modindex.html" title="Python Module Index"
             >modules</a> &nbsp; &nbsp;</li>
        <li class="right" >
          <a href="contents.html" title="Table Of Contents"
             accesskey="C">toc</a> &nbsp; &nbsp;</li>
        <li class="right" >
          <a href="introduction.html" title="Introduction"
             accesskey="N">next</a> &nbsp; &nbsp;</li>
    <li><a href="#">Psi4 []</a> &raquo; </li>
 
      </ul>
    </div>
    </div>
  

    <div class="document">
      <div class="documentwrapper">
        <div class="bodywrapper">
          <div class="body" role="main">
            
  <a class="reference internal image-reference" href="_images/psi4banner.png"><img alt="Psi4 Project Logo" src="_images/psi4banner.png" style="width: 100%;" /></a>
<div class="toctree-wrapper compound">
<ul>
<li class="toctree-l1"><a class="reference internal" href="introduction.html">Introduction</a><ul>
<li class="toctree-l2"><a class="reference internal" href="introduction.html#overview">Overview</a></li>
<li class="toctree-l2"><a class="reference internal" href="introduction.html#citing-psifour">Citing <span class="sc">Psi4</span></a></li>
<li class="toctree-l2"><a class="reference internal" href="introduction.html#supported-architectures">Supported Architectures</a></li>
<li class="toctree-l2"><a class="reference internal" href="introduction.html#capabilities">Capabilities</a></li>
<li class="toctree-l2"><a class="reference internal" href="introduction.html#technical-support">Technical Support</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="external.html">Installation and Runtime Configuration</a><ul>
<li class="toctree-l2"><a class="reference internal" href="external.html#obtaining-psifour">Obtaining <span class="sc">Psi4</span></a></li>
<li class="toctree-l2"><a class="reference internal" href="external.html#installing-from-binary">Installing from Binary</a></li>
<li class="toctree-l2"><a class="reference internal" href="external.html#compiling-and-installing-from-source">Compiling and Installing from Source</a></li>
<li class="toctree-l2"><a class="reference internal" href="external.html#scratch-files-and-the-psirc-file">Scratch Files and the <code class="docutils literal"><span class="pre">~/.psi4rc</span></code> File</a></li>
<li class="toctree-l2"><a class="reference internal" href="external.html#threading">Threading</a></li>
<li class="toctree-l2"><a class="reference internal" href="external.html#command-line-options">Command Line Options</a></li>
<li class="toctree-l2"><a class="reference internal" href="external.html#environment-variables">Environment Variables</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="tutorial.html">A <span class="sc">Psi4</span> Tutorial</a><ul>
<li class="toctree-l2"><a class="reference internal" href="tutorial.html#basic-input-file-structure">Basic Input File Structure</a></li>
<li class="toctree-l2"><a class="reference internal" href="tutorial.html#sample-input-files">Sample Input Files</a></li>
<li class="toctree-l2"><a class="reference internal" href="tutorial.html#running-a-basic-hartree-fock-calculation">Running a Basic Hartree&#8211;Fock Calculation</a></li>
<li class="toctree-l2"><a class="reference internal" href="tutorial.html#geometry-optimization-and-vibrational-frequency-analysis">Geometry Optimization and Vibrational Frequency Analysis</a></li>
<li class="toctree-l2"><a class="reference internal" href="tutorial.html#analysis-of-intermolecular-interactions">Analysis of Intermolecular Interactions</a></li>
<li class="toctree-l2"><a class="reference internal" href="tutorial.html#potential-surface-scans-and-counterpoise-correction-made-easy-with-psithon">Potential Surface Scans and Counterpoise Correction Made Easy with Psithon</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="psithoninput.html">Psithon: Structuring an Input File</a><ul>
<li class="toctree-l2"><a class="reference internal" href="psithoninput.html#physical-constants">Physical Constants</a></li>
<li class="toctree-l2"><a class="reference internal" href="psithoninput.html#memory-specification">Memory Specification</a></li>
<li class="toctree-l2"><a class="reference internal" href="psithoninput.html#molecule-and-geometry-specification">Molecule and Geometry Specification</a></li>
<li class="toctree-l2"><a class="reference internal" href="psithoninput.html#job-control-keywords">Job Control Keywords</a></li>
<li class="toctree-l2"><a class="reference internal" href="psithoninput.html#basis-sets">Basis Sets</a></li>
<li class="toctree-l2"><a class="reference internal" href="psithoninput.html#psi-variables-return-values">PSI Variables &amp; Return Values</a></li>
<li class="toctree-l2"><a class="reference internal" href="psithoninput.html#loops">Loops</a></li>
<li class="toctree-l2"><a class="reference internal" href="psithoninput.html#tables-of-results">Tables of Results</a></li>
<li class="toctree-l2"><a class="reference internal" href="psithoninput.html#python-wrappers">Python Wrappers</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="methods.html">Theoretical Methods: SCF to FCI</a><ul>
<li class="toctree-l2"><a class="reference internal" href="notes_c.html">Notes on Options</a></li>
<li class="toctree-l2"><a class="reference internal" href="scf.html">HF: Hartree&#8211;Fock Theory</a></li>
<li class="toctree-l2"><a class="reference internal" href="dft.html">DFT: Density Functional Theory</a></li>
<li class="toctree-l2"><a class="reference internal" href="dcft.html">DCFT: Density Cumulant Functional Theory</a></li>
<li class="toctree-l2"><a class="reference internal" href="dfmp2.html">DF-MP2: Density-Fitted Second-Order Møller-Plesset Perturbation Theory</a></li>
<li class="toctree-l2"><a class="reference internal" href="cc.html">CC: Coupled Cluster Methods</a></li>
<li class="toctree-l2"><a class="reference internal" href="fnocc.html">FNOCC: Frozen natural orbitals for CCSD(T), QCISD(T), CEPA, and MP4</a></li>
<li class="toctree-l2"><a class="reference internal" href="occ.html">OCC: Orbital-Optimized Coupled-Cluster and Møller&#8211;Plesset Perturbation Theories</a></li>
<li class="toctree-l2"><a class="reference internal" href="occ.html#df-occ-density-fitted-orbital-optimized-coupled-cluster-and-mollerplesset-perturbation-theories">DF-OCC: Density-Fitted Orbital-Optimized Coupled-Cluster and Møller–Plesset Perturbation Theories</a></li>
<li class="toctree-l2"><a class="reference internal" href="psimrcc.html">PSIMRCC Implementation of Mk-MRCC Theory</a></li>
<li class="toctree-l2"><a class="reference internal" href="detci.html">CI: Configuration Interaction</a></li>
<li class="toctree-l2"><a class="reference internal" href="sapt.html">SAPT: Symmetry-Adapted Perturbation Theory</a></li>
<li class="toctree-l2"><a class="reference internal" href="adc.html">ADC: Ab Initio Polarization Propagator</a></li>
<li class="toctree-l2"><a class="reference internal" href="optking.html">Geometry Optimization</a></li>
<li class="toctree-l2"><a class="reference internal" href="oeprop.html">Evaluation of One-Electron Properties</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="interfacing.html">Interfaces: Enhancing <span class="sc">Psi4</span> Capabilities</a><ul>
<li class="toctree-l2"><a class="reference internal" href="cfour.html">Interface to CFOUR by J. Stanton and J. Gauss</a></li>
<li class="toctree-l2"><a class="reference internal" href="dftd3.html">Interface to DFTD3 by S. Grimme</a></li>
<li class="toctree-l2"><a class="reference internal" href="dkh.html">Interface to DKH by A. Wolf, M. Reiher, and B. A. Hess</a></li>
<li class="toctree-l2"><a class="reference internal" href="libefp.html">Interface to LIBEFP by I. Kaliman</a></li>
<li class="toctree-l2"><a class="reference internal" href="molden.html">Interface to Molden</a></li>
<li class="toctree-l2"><a class="reference internal" href="mrcc.html">Interface to MRCC by M. Kállay</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="psithonfunc.html">Psithon Functions: Invoking a Calculation</a><ul>
<li class="toctree-l2"><a class="reference internal" href="notes_py.html">Notes on Options</a></li>
<li class="toctree-l2"><a class="reference internal" href="energy.html">Energy</a></li>
<li class="toctree-l2"><a class="reference internal" href="prop.html">Property</a></li>
<li class="toctree-l2"><a class="reference internal" href="cp.html">Counterpoise Correct</a></li>
<li class="toctree-l2"><a class="reference internal" href="opt.html">Optimize</a></li>
<li class="toctree-l2"><a class="reference internal" href="freq.html">Frequency</a></li>
<li class="toctree-l2"><a class="reference internal" href="db.html">Database</a></li>
<li class="toctree-l2"><a class="reference internal" href="cbs.html">Complete Basis Set</a></li>
<li class="toctree-l2"><a class="reference internal" href="diatomic.html">Spectroscopic Constants for Diatomics</a></li>
<li class="toctree-l2"><a class="reference internal" href="intercalls.html">Function Intercalls</a></li>
<li class="toctree-l2"><a class="reference internal" href="sowreap.html">Embarrassing Parallelism</a></li>
<li class="toctree-l2"><a class="reference internal" href="cubeprop.html">Generation of cube files</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="customizing.html">Customization: Adding Simple Extensions</a><ul>
<li class="toctree-l2"><a class="reference internal" href="quickaddalias.html">Defining a Method Alias</a></li>
<li class="toctree-l2"><a class="reference internal" href="quickadddatabase.html">Creating a Database</a></li>
</ul>
</li>
</ul>
</div>
<div class="toctree-wrapper compound">
<ul>
<li class="toctree-l1"><a class="reference internal" href="appendices.html">Appendices</a><ul>
<li class="toctree-l2"><a class="reference internal" href="appendices.html#keywords">Keywords</a><ul>
<li class="toctree-l3"><a class="reference internal" href="autodoc_glossary_options_c.html">Keywords by Alpha</a></li>
<li class="toctree-l3"><a class="reference internal" href="autodoc_options_c_bymodule.html">Keywords by Module</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="appendices.html#basis-sets">Basis Sets</a><ul>
<li class="toctree-l3"><a class="reference internal" href="basissets_tables.html">Basis Sets by Family</a></li>
<li class="toctree-l3"><a class="reference internal" href="basissets_byelement.html">Basis Sets by Element</a></li>
<li class="toctree-l3"><a class="reference internal" href="basissets_byfamily.html">Auxiliary Basis Sets</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="appendices.html#psi-variables">PSI Variables</a><ul>
<li class="toctree-l3"><a class="reference internal" href="glossary_psivariables.html">PSI Variables by Alpha</a></li>
<li class="toctree-l3"><a class="reference internal" href="autodoc_psivariables_bymodule.html">PSI Variables by Module</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="appendices.html#miscellaneous">Miscellaneous</a><ul>
<li class="toctree-l3"><a class="reference internal" href="testsuite.html">Test Suite and Sample Inputs</a></li>
<li class="toctree-l3"><a class="reference internal" href="dft_byfunctional.html">DFT Functionals</a></li>
<li class="toctree-l3"><a class="reference internal" href="autodoc_psifiles.html">PSIOH Intermediate Files</a></li>
<li class="toctree-l3"><a class="reference internal" href="autodoc_physconst.html">Physical Constants</a></li>
<li class="toctree-l3"><a class="reference internal" href="bibliography.html">Bibliography</a></li>
</ul>
</li>
</ul>
</li>
</ul>
</div>
<div class="section" id="programmers-manual">
<h1>Programmers&#8217; Manual<a class="headerlink" href="#programmers-manual" title="Permalink to this headline"></a></h1>
<div class="toctree-wrapper compound">
<ul>
<li class="toctree-l1"><a class="reference internal" href="contributing.html">Contributions: Intro to Programming in <span class="sc">Psi4</span></a><ul>
<li class="toctree-l2"><a class="reference internal" href="plugins.html">Plugins: Adding New Functionality to <span class="sc">Psi4</span></a></li>
<li class="toctree-l2"><a class="reference internal" href="bestpractices_py.html">Best Practices for Python Functions</a></li>
<li class="toctree-l2"><a class="reference internal" href="documentation.html">Documentation</a></li>
<li class="toctree-l2"><a class="reference internal" href="psipep.html">PsiPEP: Plans and Practices to Organize <span class="sc">Psi4</span></a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="programming.html">Programming: Using the Core Libraries</a><ul>
<li class="toctree-l2"><a class="reference internal" href="optionshandling.html">LibOptions: globals, locals, has_changed and all that</a></li>
<li class="toctree-l2"><a class="reference internal" href="proc_py.html">Adding Methods to Driver</a></li>
<li class="toctree-l2"><a class="reference internal" href="prog_basissets.html">BasisSet</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="autodoc_driver.html">Python Driver</a><ul>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-parallel">parallel</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-roa">roa</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-diatomic">diatomic</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-aliases">aliases</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-gaussian_n">gaussian_n</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-dashparam">dashparam</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-interface_cfour">interface_cfour</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-wrappers">wrappers</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-driver">driver</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-molutil">molutil</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-proc">proc</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-qmmm">qmmm</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-pubchem">pubchem</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-inputparser">inputparser</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-functional">functional</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-mbe_impl">mbe_impl</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-interactive">interactive</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-frac">frac</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-p4regex">p4regex</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-p4xcpt">p4xcpt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-wrappers_cfour">wrappers_cfour</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-interface_dftd3">interface_dftd3</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-qcdb">qcdb</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-p4util">p4util</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_driver.html#module-p4const">p4const</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="autodoc_psimod.html">psi4: Linking C++ and Python</a><ul>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#psi4">psi4</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#aoshellcombinationsiterator">AOShellCombinationsIterator</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#angularmomentumint">AngularMomentumInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#basisset">BasisSet</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#basissetparser">BasisSetParser</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#boyslocalizer">BoysLocalizer</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#cdsalclist">CdSalcList</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#checkpoint">Checkpoint</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#correlationfactor">CorrelationFactor</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#cubefile">CubeFile</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#cubeproperties">CubeProperties</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#dfchargefitter">DFChargeFitter</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#dftensor">DFTensor</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#diagonalizeorder">DiagonalizeOrder</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#dimension">Dimension</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#dipoleint">DipoleInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#dispersion">Dispersion</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#doublepybuffer">DoublePyBuffer</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#efp">EFP</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#eri">ERI</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#electricfieldint">ElectricFieldInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#electrostaticint">ElectrostaticInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#environment">Environment</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#erfcomplementeri">ErfComplementERI</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#erferi">ErfERI</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#externalpotential">ExternalPotential</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#f12">F12</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#f12doublecommutator">F12DoubleCommutator</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#f12g12">F12G12</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#f12squared">F12Squared</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#fittedslatercorrelationfactor">FittedSlaterCorrelationFactor</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#fittingmetric">FittingMetric</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#functional">Functional</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#gaussian94basissetparser">Gaussian94BasisSetParser</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#gaussianshell">GaussianShell</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#geometryunits">GeometryUnits</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#hf">HF</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#io">IO</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#iomanager">IOManager</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#intvector">IntVector</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#integralfactory">IntegralFactory</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#jk">JK</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#kineticint">KineticInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#laplacedenominator">LaplaceDenominator</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#libfragdriver">LibFragDriver</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#libparallelhelper">LibParallelHelper</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#localizer">Localizer</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#matrix">Matrix</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#matrixfactory">MatrixFactory</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#mintshelper">MintsHelper</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#moldenwriter">MoldenWriter</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#molecule">Molecule</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#multipoleint">MultipoleInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#multipolesymmetry">MultipoleSymmetry</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#nbowriter">NBOWriter</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#nablaint">NablaInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#oeprop">OEProp</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#onebodyaoint">OneBodyAOInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#orbitalspace">OrbitalSpace</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#overlapint">OverlapInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#pmlocalizer">PMLocalizer</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#petitelist">PetiteList</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#pointgroup">PointGroup</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#potentialint">PotentialInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#process">Process</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#pseudotrial">PseudoTrial</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#pseudospectralint">PseudospectralInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#psireturntype">PsiReturnType</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#psi-numpy-interface">Psi_Numpy_Interface</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#quadrupoleint">QuadrupoleInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#rhf">RHF</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#sobasisset">SOBasisSet</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#superfunctional">SuperFunctional</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#symmetryoperation">SymmetryOperation</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#threecenteroverlapint">ThreeCenterOverlapInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#tracelessquadrupoleint">TracelessQuadrupoleInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#twobodyaoint">TwoBodyAOInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#twoelectronint">TwoElectronInt</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#vector">Vector</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#vector3">Vector3</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#view">View</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#wavefunction">Wavefunction</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#matrix-vector">matrix_vector</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#vector-of-doubles">vector_of_doubles</a></li>
<li class="toctree-l2"><a class="reference internal" href="autodoc_psimod.html#full-docs-output">Full Docs Output</a></li>
</ul>
</li>
</ul>
</div>
<ul class="simple">
<li>Indices</li>
</ul>
<blockquote>
<div><ul class="simple">
<li><a class="reference internal" href="genindex.html"><span>Index</span></a></li>
<li><a class="reference internal" href="py-modindex.html"><span>Module Index</span></a></li>
<li><a class="reference internal" href="search.html"><span>Search Page</span></a></li>
</ul>
</div></blockquote>
<style type="text/css"><!--
 .green {color: red;}
 .sc {font-variant: small-caps;}
 --></style></div>


          </div>
        </div>
      </div>
      <div class="sphinxsidebar" role="navigation" aria-label="main navigation">
        <div class="sphinxsidebarwrapper">
  <h4>Next topic</h4>
  <p class="topless"><a href="introduction.html"
                        title="next chapter">Introduction</a></p>
  <div role="note" aria-label="source link">
    <h3>This Page</h3>
    <ul class="this-page-menu">
      <li><a href="_sources/index.txt"
            rel="nofollow">Show Source</a></li>
    </ul>
   </div>
<div id="searchbox" style="display: none" role="search">
  <h3>Quick search</h3>
    <form class="search" action="search.html" method="get">
      <input type="text" name="q" />
      <input type="submit" value="Go" />
      <input type="hidden" name="check_keywords" value="yes" />
      <input type="hidden" name="area" value="default" />
    </form>
    <p class="searchtip" style="font-size: 90%">
    Enter search terms or a module, class or function name.
    </p>
</div>
<script type="text/javascript">$('#searchbox').show(0);</script>
        </div>
      </div>
      <div class="clearer"></div>
    </div>
    <div class="relbar-bottom">
        
    <div class="related" role="navigation" aria-label="related navigation">
      <h3>Navigation</h3>
      <ul>
        <li class="right" style="margin-right: 10px">
          <a href="genindex.html" title="General Index"
             >index</a></li>
        <li class="right" >
          <a href="py-modindex.html" title="Python Module Index"
             >modules</a> &nbsp; &nbsp;</li>
        <li class="right" >
          <a href="contents.html" title="Table Of Contents"
             >toc</a> &nbsp; &nbsp;</li>
        <li class="right" >
          <a href="introduction.html" title="Introduction"
             >next</a> &nbsp; &nbsp;</li>
    <li><a href="#">Psi4 []</a> &raquo; </li>
 
      </ul>
    </div>
    </div>

    <div class="footer" role="contentinfo">
        &copy; Copyright 2015, The Psi4 Project.
      Last updated on Tuesday, 12 January 2016 03:10PM.
      Created using <a href="http://sphinx-doc.org/">Sphinx</a> 1.3.3.
    </div>
    <!-- cloud_sptheme 1.3 -->
  </body>
</html>