Merge pull request #16 from MDIL-SNU/python3

manual
MDIL-SNU · Feb 28, 2020 · 083a147 · 083a147
2 parents 2449a07 + 753202b
commit 083a147
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Showing 10 changed files with 20 additions and 20 deletions.
diff --git a/AMP2_manual.pdf b/AMP2_manual.pdf
diff --git a/docs/Input/Advanced_configuration.rst b/docs/Input/Advanced_configuration.rst
@@ -12,7 +12,7 @@ config_def.yaml:
       done: ./Done                          # the path of the directory where results are saved
       error: ./ERROR                        # the path of the directory where the materials with error are saved
       src_path: ./src                       # the path of the directory of AMP2 source codes
-      pot_path_gga: ./pot/PB                # the path of directory for GGA pseudopotential
+      pot_path_gga: ./pot/PBE               # the path of directory for GGA pseudopotential
       pot_path_lda: ./pot/LDA               # the path of directory for LDA pseudopotential
 
     program:

diff --git a/docs/_build/doctrees/Input/Advanced_configuration.doctree b/docs/_build/doctrees/Input/Advanced_configuration.doctree
diff --git a/docs/_build/doctrees/environment.pickle b/docs/_build/doctrees/environment.pickle
diff --git a/docs/_build/html/Input/Advanced_configuration.html b/docs/_build/html/Input/Advanced_configuration.html
@@ -177,7 +177,7 @@ <h1>Advanced configuration<a class="headerlink" href="#advanced-configuration" t
   <span class="n">done</span><span class="p">:</span> <span class="o">./</span><span class="n">Done</span>                          <span class="c1"># the path of the directory where results are saved</span>
   <span class="n">error</span><span class="p">:</span> <span class="o">./</span><span class="n">ERROR</span>                        <span class="c1"># the path of the directory where the materials with error are saved</span>
   <span class="n">src_path</span><span class="p">:</span> <span class="o">./</span><span class="n">src</span>                       <span class="c1"># the path of the directory of AMP2 source codes</span>
-  <span class="n">pot_path_gga</span><span class="p">:</span> <span class="o">./</span><span class="n">pot</span><span class="o">/</span><span class="n">PB</span>                <span class="c1"># the path of directory for GGA pseudopotential</span>
+  <span class="n">pot_path_gga</span><span class="p">:</span> <span class="o">./</span><span class="n">pot</span><span class="o">/</span><span class="n">PBE</span>               <span class="c1"># the path of directory for GGA pseudopotential</span>
   <span class="n">pot_path_lda</span><span class="p">:</span> <span class="o">./</span><span class="n">pot</span><span class="o">/</span><span class="n">LDA</span>               <span class="c1"># the path of directory for LDA pseudopotential</span>
 
 <span class="n">program</span><span class="p">:</span>

diff --git a/docs/_build/html/_sources/Input/Advanced_configuration.rst.txt b/docs/_build/html/_sources/Input/Advanced_configuration.rst.txt
@@ -12,7 +12,7 @@ config_def.yaml:
       done: ./Done                          # the path of the directory where results are saved
       error: ./ERROR                        # the path of the directory where the materials with error are saved
       src_path: ./src                       # the path of the directory of AMP2 source codes
-      pot_path_gga: ./pot/PB                # the path of directory for GGA pseudopotential
+      pot_path_gga: ./pot/PBE               # the path of directory for GGA pseudopotential
       pot_path_lda: ./pot/LDA               # the path of directory for LDA pseudopotential
 
     program:

diff --git a/docs/_build/latex/Manual.fdb_latexmk b/docs/_build/latex/Manual.fdb_latexmk
@@ -1,10 +1,10 @@
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-  "Manual.idx" 1582889090 0 d41d8cd98f00b204e9800998ecf8427e "pdflatex"
+["makeindex Manual.idx"] 1581472241 "Manual.idx" "Manual.ind" "Manual" 1582889376
+  "Manual.idx" 1582889375 0 d41d8cd98f00b204e9800998ecf8427e "pdflatex"
   (generated)
-  "Manual.ind"
   "Manual.ilg"
-["pdflatex"] 1582889090 "Manual.tex" "Manual.pdf" "Manual" 1582889091
+  "Manual.ind"
+["pdflatex"] 1582889375 "Manual.tex" "Manual.pdf" "Manual" 1582889376
   "/usr/local/texlive/2019/texmf-dist/fonts/enc/dvips/base/8r.enc" 1165713224 4850 80dc9bab7f31fb78a000ccfed0e27cab ""
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@@ -165,11 +165,11 @@
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-  "Manual.aux" 1582889091 12573 51e212a502236a36d4d6f80c1f00ead0 "pdflatex"
+  "Manual.aux" 1582889376 12573 51e212a502236a36d4d6f80c1f00ead0 "pdflatex"
   "Manual.ind" 1581472242 0 d41d8cd98f00b204e9800998ecf8427e "makeindex Manual.idx"
-  "Manual.out" 1582889091 6914 27108ffea990fefa647b3882a46e1d55 "pdflatex"
-  "Manual.tex" 1582889089 78853 fa1e1f13c2b6c3e68035ef1ea2e8211f ""
-  "Manual.toc" 1582889091 4169 1e6d030023833fa60fd003e5ebea5e44 "pdflatex"
+  "Manual.out" 1582889376 6914 27108ffea990fefa647b3882a46e1d55 "pdflatex"
+  "Manual.tex" 1582889375 78853 9f443b4dc2b3855cb0e889c8dbb2c474 ""
+  "Manual.toc" 1582889376 4169 1e6d030023833fa60fd003e5ebea5e44 "pdflatex"
   "band_GGA.png" 1580099120 79693 bd7ef0d84bc01ff6cbc54a65a00f0573 ""
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   "band_GGA2.png" 1580099120 95526 061a3897e54f07e502642d24c7257d2a ""
@@ -181,14 +181,14 @@
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-  "sphinxhighlight.sty" 1582889089 8137 38a433148fcb7611515a989ff1750dd5 ""
+  "sphinxhighlight.sty" 1582889374 8137 38a433148fcb7611515a989ff1750dd5 ""
   "sphinxmanual.cls" 1569264181 3764 e7c0a8da02dc45450256dd4cfdafb426 ""
-  "sphinxmessages.sty" 1582889089 731 4c7a75a0ce6092b44bece19aa46febe9 ""
+  "sphinxmessages.sty" 1582889375 731 4c7a75a0ce6092b44bece19aa46febe9 ""
   "sphinxmulticell.sty" 1569264181 14618 0defbdc8536ad2e67f1eac6a1431bc55 ""
   (generated)
   "Manual.out"
-  "Manual.pdf"
   "Manual.idx"
-  "Manual.log"
-  "Manual.toc"
+  "Manual.pdf"
   "Manual.aux"
+  "Manual.toc"
+  "Manual.log"
diff --git a/docs/_build/latex/Manual.log b/docs/_build/latex/Manual.log
@@ -1,4 +1,4 @@
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+This is pdfTeX, Version 3.14159265-2.6-1.40.20 (TeX Live 2019) (preloaded format=pdflatex 2019.12.24)  28 FEB 2020 20:29
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@@ -1067,7 +1067,7 @@ Package atveryend Info: Empty hook `AtVeryVeryEnd' on input line 1933.
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-Output written on Manual.pdf (34 pages, 709069 bytes).
+Output written on Manual.pdf (34 pages, 709071 bytes).
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diff --git a/docs/_build/latex/Manual.pdf b/docs/_build/latex/Manual.pdf
diff --git a/docs/_build/latex/Manual.tex b/docs/_build/latex/Manual.tex
@@ -1333,7 +1333,7 @@ \section{Advanced configuration}
   \PYG{n}{done}\PYG{p}{:} \PYG{o}{.}\PYG{o}{/}\PYG{n}{Done}                          \PYG{c+c1}{\PYGZsh{} the path of the directory where results are saved}
   \PYG{n}{error}\PYG{p}{:} \PYG{o}{.}\PYG{o}{/}\PYG{n}{ERROR}                        \PYG{c+c1}{\PYGZsh{} the path of the directory where the materials with error are saved}
   \PYG{n}{src\PYGZus{}path}\PYG{p}{:} \PYG{o}{.}\PYG{o}{/}\PYG{n}{src}                       \PYG{c+c1}{\PYGZsh{} the path of the directory of AMP2 source codes}
-  \PYG{n}{pot\PYGZus{}path\PYGZus{}gga}\PYG{p}{:} \PYG{o}{.}\PYG{o}{/}\PYG{n}{pot}\PYG{o}{/}\PYG{n}{PB}                \PYG{c+c1}{\PYGZsh{} the path of directory for GGA pseudopotential}
+  \PYG{n}{pot\PYGZus{}path\PYGZus{}gga}\PYG{p}{:} \PYG{o}{.}\PYG{o}{/}\PYG{n}{pot}\PYG{o}{/}\PYG{n}{PBE}               \PYG{c+c1}{\PYGZsh{} the path of directory for GGA pseudopotential}
   \PYG{n}{pot\PYGZus{}path\PYGZus{}lda}\PYG{p}{:} \PYG{o}{.}\PYG{o}{/}\PYG{n}{pot}\PYG{o}{/}\PYG{n}{LDA}               \PYG{c+c1}{\PYGZsh{} the path of directory for LDA pseudopotential}
 
 \PYG{n}{program}\PYG{p}{:}