Commit e9f52417 authored by Malthe Kjær Bisbo's avatar Malthe Kjær Bisbo
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Cleaned up cand_opp and missing missing wrap() calls

parent 531b2f5e
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<li><a class="reference internal" href="#submodules">Submodules</a></li>
<li><a class="reference internal" href="#gofee-candidate-operations-basic-mutations-module">gofee.candidate_operations.basic_mutations module</a></li>
<li><a class="reference internal" href="#gofee-candidate-operations-candidate-generation-module">gofee.candidate_operations.candidate_generation module</a></li>
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<h1>gofee.candidate_operations package<a class="headerlink" href="#gofee-candidate-operations-package" title="Permalink to this headline"></a></h1>
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Search.setIndex({docnames:["gofee","gofee.candidate_operations","gofee.surrogate","index","modules","test"],envversion:{"sphinx.domains.c":1,"sphinx.domains.changeset":1,"sphinx.domains.citation":1,"sphinx.domains.cpp":1,"sphinx.domains.javascript":1,"sphinx.domains.math":2,"sphinx.domains.python":1,"sphinx.domains.rst":1,"sphinx.domains.std":1,sphinx:56},filenames:["gofee.rst","gofee.candidate_operations.rst","gofee.surrogate.rst","index.rst","modules.rst","test.rst"],objects:{},objnames:{},objtypes:{},terms:{"import":5,"true":5,The:5,There:5,Using:5,all:5,argument:[],asdasda:[],asdasdasd:[],ase:5,ate:5,atom:5,basi:5,basic:3,basic_mut:[0,4],beta:5,bfgslinesearch_constrain:4,bfgslinesearch_zlim:4,blac:5,box:5,c6h6:5,calc:5,calcul:5,can:5,candidate_gener:[0,4],candidate_oper:[0,4],candidategener:3,cell:5,charg:[],collect:[],configur:5,contain:5,content:[3,4],creat:5,custom_calcul:[0,4],defin:5,determin:5,dzp:5,effici:5,energi:5,eps:5,explor:5,express:5,extra_paramet:5,fermidirac:5,first:[],fix:5,follow:5,form:5,from:5,gaussian:3,get_cel:5,global:[],gpaw:5,gpr:[0,3,4],gpr_calcul:[0,4],gpr_old:[0,4],gpt:5,h2gpt:5,here:[],how:[],idiv:5,index:3,inform:5,init:[],initi:5,initialis:5,introduct:5,just:5,kernel:[0,4],keyword:[],kpt:5,lcao:5,like:5,load:5,look:5,magmom:[],mass:[],max_step:5,maxit:5,method:5,mixer:5,mode:5,model:3,modul:[3,4],molecul:[],momenta:[],more:5,most:5,nband:5,nmaxold:5,non:5,number:[],numpi:5,object:5,occup:5,one:5,optim:5,other:[],packag:4,page:3,parallel_util:4,pbe:5,perform:[],piec:5,place:5,poissonsolv:5,popul:4,posit:5,possibl:[],potenti:5,process:3,random:5,randomli:5,read:[],regress:3,relax:5,reli:5,reshap:5,respect:5,run:5,sadasd:[],search:[3,5],set:3,simplest:[],slab:5,space:5,specifi:3,startgener:3,structs_init:[],structur:3,submodul:4,subpackag:4,suppli:3,surrog:[0,4],system:3,tag:[],test_descriptor:[0,4],test_gpr:[0,4],test_kernel:[0,4],thi:5,traj:5,trajectori:5,two:5,type:[],uniform:5,used:[],user:5,util:[4,5],wai:5,weight:5,what:5,when:5,which:5,within:5,write:[]},titles:["gofee package","gofee.candidate_operations package","gofee.surrogate package","Welcome to GOFEE\u2019s documentation!","gofee","GOFEE"],titleterms:{The:[],atom:[],basic:5,basic_mut:1,bfgslinesearch_constrain:0,bfgslinesearch_zlim:0,candidate_gener:1,candidate_oper:1,candidategener:5,content:[0,1,2],custom_calcul:2,document:3,gaussian:5,gofe:[0,1,2,3,4,5],gpr:[2,5],gpr_calcul:2,gpr_old:2,indic:3,kernel:2,model:5,modul:[0,1,2],object:[],packag:[0,1,2],parallel_util:0,popul:0,process:5,regress:5,set:5,specifi:5,startgener:5,structur:5,submodul:[0,1,2],subpackag:0,suppli:5,surrog:2,system:5,tabl:3,test_descriptor:2,test_gpr:2,test_kernel:2,util:0,welcom:3}})
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# Configuration file for the Sphinx documentation builder.
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# If extensions (or modules to document with autodoc) are in another directory,
# add these directories to sys.path here. If the directory is relative to the
# documentation root, use os.path.abspath to make it absolute, like shown here.
#
import os
import sys
sys.path.insert(0, os.path.abspath('..'))
# -- Project information -----------------------------------------------------
project = 'GOFEE'
copyright = '2020, Malthe Kjær Bisbo, Bjørk Hammer'
author = 'Malthe Kjær Bisbo, Bjørk Hammer'
# -- General configuration ---------------------------------------------------
# Add any Sphinx extension module names here, as strings. They can be
# extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
# ones.
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html_static_path = ['_static']
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gofee.candidate\_operations package
===================================
Submodules
----------
gofee.candidate\_operations.basic\_mutations module
---------------------------------------------------
.. automodule:: gofee.candidate_operations.basic_mutations
:members:
:undoc-members:
:show-inheritance:
gofee.candidate\_operations.candidate\_generation module
--------------------------------------------------------
.. automodule:: gofee.candidate_operations.candidate_generation
:members:
:undoc-members:
:show-inheritance:
Module contents
---------------
.. automodule:: gofee.candidate_operations
:members:
:undoc-members:
:show-inheritance:
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.. GOFEE documentation master file, created by
sphinx-quickstart on Wed Jan 22 20:36:44 2020.
You can adapt this file completely to your liking, but it should at least
contain the root `toctree` directive.
Welcome to GOFEE's documentation!
=================================
.. toctree::
:maxdepth: 2
:caption: Contents:
#modules
test
Indices and tables
==================
* :ref:`genindex`
* :ref:`modindex`
* :ref:`search`
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gofee
=====
.. toctree::
:maxdepth: 4
gofee
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