Merge pull request #85 from issp-center-dev/update_tutorial

README.md

@@ -45,6 +45,7 @@ The following tools are required for building TeNeS.
 
 - C++11 compiler
 - CMake (>=3.6.0)
+- BLAS/LAPACK
 
 TeNeS depends on the following libraries, but these are downloaded automatically through the build process.
 

docs/sphinx/en/about/info.rst

@@ -20,6 +20,7 @@ TeNeS is developed by the following members.
 Version information
 ======================
 
+- ver. 2.0.0: released on 2023-11-17.
 - ver. 2.0-beta: released on 2023-10-25.
 - ver. 1.3.4: released on 2023-09-13.
 - ver. 1.3.3: released on 2023-07-14.

docs/sphinx/en/install.rst

@@ -16,6 +16,7 @@ The following tools are required for building TeNeS.
 
 1. C++11 compiler
 2. CMake (>=3.6.0)
+3. BLAS and LAPACK
 
 TeNeS depends on the following libraries, but these are downloaded automatically through the build process.
 

docs/sphinx/en/tutorial/04_magnetization.rst

@@ -107,7 +107,7 @@ Then, the magnetization curve shown in the right panel of
 
 ::
 
-    load 'plot_ene_square.gp'
+    load 'plot_square_ene.gp'
 
 you will obtain the ground-state energy as shown in the left panel of
 :numref:`fig_tutorial5_square`. The calculation is almost converged at 2000

docs/sphinx/ja/about/info.rst

@@ -20,6 +20,7 @@ TeNeS は以下のメンバーで開発しています。
 バージョン履歴
 ==================
 
+- ver. 2.0.0: 2023-11-17 にリリース。
 - ver. 2.0-beta: 2023-10-25 にリリース。
 - ver. 1.3.4: 2023-09-13 にリリース。
 - ver. 1.3.3: 2023-07-14 にリリース。

docs/sphinx/ja/install.rst

@@ -16,6 +16,7 @@ TeNeSをコンパイルするには以下のライブラリ・環境が必要で
 
 1. C++11 compiler
 2. CMake (>=3.6.0)
+3. BLAS, LAPACK
 
 TeNeSは以下のライブラリに依存していますが、自動でダウンロードおよびビルドがされます。
 

docs/sphinx/ja/tutorial/04_magnetization.rst

@@ -82,7 +82,7 @@
 とすれば、 :numref:`fig_tutorial5_square` の右図のような磁化カーブが得られます。同様に
 ::
 
-    load 'plot_ene_square.gp'
+    load 'plot_square_ene.gp'
 
 とすれば、:numref:`fig_tutorial5_square` の左図のような基底エネルギーのグラフが得られます。
 

sample/03_finite_temperature/plot_mx.plt

@@ -1,178 +1,9 @@
-#!/opt/homebrew/Cellar/gnuplot/5.4.7/bin/gnuplot
-#
-#    
-#    	G N U P L O T
-#    	Version 5.4 patchlevel 7    last modified 2023-05-16
-#    
-#    	Copyright (C) 1986-1993, 1998, 2004, 2007-2023
-#    	Thomas Williams, Colin Kelley and many others
-#    
-#    	gnuplot home:     http://www.gnuplot.info
-#    	faq, bugs, etc:   type "help FAQ"
-#    	immediate help:   type "help"  (plot window: hit 'h')
-# set terminal qt 0 font "Times,18"
-# set output
-unset clip points
-set clip one
-unset clip two
-unset clip radial
-set errorbars front 1.000000 
-set border 31 front lt black linewidth 1.000 dashtype solid
-set zdata 
-set ydata 
-set xdata 
-set y2data 
-set x2data 
-set boxwidth
-set boxdepth 0
-set style fill  empty border
-set style rectangle back fc  bgnd fillstyle   solid 1.00 border lt -1
-set style circle radius graph 0.02 
-set style ellipse size graph 0.05, 0.03 angle 0 units xy
-set dummy x, y
-set format x "% h" 
-set format y "% h" 
-set format x2 "% h" 
-set format y2 "% h" 
-set format z "% h" 
-set format cb "% h" 
-set format r "% h" 
-set ttics format "% h"
-set timefmt "%d/%m/%y,%H:%M"
-set angles radians
-set tics back
-unset grid
-unset raxis
-set theta counterclockwise right
-set style parallel front  lt black linewidth 2.000 dashtype solid
-set key notitle
-set key fixed right top vertical Right noreverse enhanced autotitle nobox
-set key noinvert samplen 4 spacing 1 width 0 height 0
-set key maxcolumns 0 maxrows 0
-set key noopaque
-unset label
-unset arrow
-unset style line
-unset style arrow
-set style histogram clustered gap 2 title textcolor lt -1
-unset object
-unset walls
-set style textbox  transparent margins  1.0,  1.0 border  lt -1 linewidth  1.0
-set offsets 0, 0, 0, 0
-set pointsize 1
-set pointintervalbox 1
-set encoding default
-unset polar
-unset parametric
-unset spiderplot
-unset decimalsign
-unset micro
-unset minussign
-set view 60, 30, 1, 1
-set view azimuth 0
-set rgbmax 255
-set samples 100, 100
-set isosamples 10, 10
-set surface implicit
-set surface
-unset contour
-set cntrlabel  format '%8.3g' font '' start 5 interval 20
-set mapping cartesian
-set datafile separator whitespace
-set datafile nocolumnheaders
-unset hidden3d
-set cntrparam order 4
-set cntrparam linear
-set cntrparam levels 5
-set cntrparam levels auto
-set cntrparam firstlinetype 0 unsorted
-set cntrparam points 5
-set size ratio 1 1,1
-set origin 0,0
-set style data points
-set style function lines
-unset xzeroaxis
-unset yzeroaxis
-unset zzeroaxis
-unset x2zeroaxis
-unset y2zeroaxis
-set xyplane relative 0.5
-set tics scale  1, 0.5, 1, 1, 1
-set mxtics default
-set mytics default
-set mztics default
-set mx2tics default
-set my2tics default
-set mcbtics default
-set mrtics default
-set nomttics
-set xtics border in scale 1,0.5 mirror norotate  autojustify
-set xtics  norangelimit autofreq 
-set ytics border in scale 1,0.5 mirror norotate  autojustify
-set ytics  norangelimit autofreq 
-set ztics border in scale 1,0.5 nomirror norotate  autojustify
-set ztics  norangelimit autofreq 
-unset x2tics
-unset y2tics
-set cbtics border in scale 1,0.5 mirror norotate  autojustify
-set cbtics  norangelimit autofreq 
-set rtics axis in scale 1,0.5 nomirror norotate  autojustify
-set rtics  norangelimit autofreq 
-unset ttics
-set title "" 
-set title  font "" textcolor lt -1 norotate
-set timestamp bottom 
-set timestamp "" 
-set timestamp  font "" textcolor lt -1 norotate
-set trange [ * : * ] noreverse nowriteback
-set urange [ * : * ] noreverse nowriteback
-set vrange [ * : * ] noreverse nowriteback
+set ytics 0.1
 set xlabel "T" 
-set xlabel  font "" textcolor lt -1 norotate
-set x2label "" 
-set x2label  font "" textcolor lt -1 norotate
-set xrange [ * : * ] noreverse writeback
-set x2range [ * : * ] noreverse writeback
 set ylabel "<M_x>" 
-set ylabel  font "" textcolor lt -1 rotate
-set y2label "" 
-set y2label  font "" textcolor lt -1 rotate
-set yrange [ * : * ] noreverse writeback
-set y2range [ * : * ] noreverse writeback
-set zlabel "" 
-set zlabel  font "" textcolor lt -1 norotate
-set zrange [ * : * ] noreverse writeback
-set cblabel "" 
-set cblabel  font "" textcolor lt -1 rotate
-set cbrange [ * : * ] noreverse writeback
-set rlabel "" 
-set rlabel  font "" textcolor lt -1 norotate
-set rrange [ * : * ] noreverse writeback
-unset logscale
-unset jitter
-set zero 1e-08
-set lmargin  -1
-set bmargin  -1
-set rmargin  -1
-set tmargin  -1
-set locale "ja_JP.UTF-8"
-set pm3d explicit at s
-set pm3d scansautomatic
-set pm3d interpolate 1,1 flush begin noftriangles noborder corners2color mean
-set pm3d clip z 
-set pm3d nolighting
-set palette positive nops_allcF maxcolors 0 gamma 1.5 color model RGB 
-set palette rgbformulae 7, 5, 15
-set colorbox default
-set colorbox vertical origin screen 0.9, 0.2 size screen 0.05, 0.6 front  noinvert bdefault
-set style boxplot candles range  1.50 outliers pt 7 separation 1 labels auto unsorted
-set loadpath 
-set fontpath
-set psdir
-set fit brief errorvariables nocovariancevariables errorscaling prescale nowrap v5
-GNUTERM = "qt"
-I = {0.0, 1.0}
-VoxelDistance = 0.0
-## Last datafile plotted: "magnetization_x_strong.dat"
-p [:5] "magnetization_x_zero.dat" u (1/$1):2 w lp ti "h_x = 0", "magnetization_x_weak.dat" u (1/$1):2 w lp ti "h_x = 0.5", "magnetization_x_middle.dat" u (1/$1):2 w lp ti "h_x = 0.8", "magnetization_x_strong.dat" u (1/$1):2 w lp ti "h_x = 2.0"
-#    EOF
+
+p [:5] \
+"magnetization_x_zero.dat" u (1/$1):2 w lp ti "h_x = 0",\
+"magnetization_x_weak.dat" u (1/$1):2 w lp ti "h_x = 0.5",\
+"magnetization_x_middle.dat" u (1/$1):2 w lp ti "h_x = 0.8",\
+"magnetization_x_strong.dat" u (1/$1):2 w lp ti "h_x = 2.0"