From d28994a0384f7da6315b8568057461983e8767de Mon Sep 17 00:00:00 2001 From: Yuichi Motoyama Date: Thu, 30 May 2024 17:40:13 +0900 Subject: [PATCH] use DSQSS for generating reference data --- .../en/tutorial/03_finite_temperature.rst | 9 ++-- .../img/tutorial_03_finitetemperature.pdf | Bin 0 -> 244958 bytes .../img/tutorial_03_finitetemperature.png | Bin 0 -> 167767 bytes .../ja/tutorial/03_finite_temperature.rst | 11 ++-- sample/03_finite_temperature/QMC/README.md | 6 +-- .../03_finite_temperature/QMC/common_param.in | 18 +++++++ .../QMC/ene-L32-G0.0.dat | 17 ++++++ .../QMC/ene-L32-G0.5.dat | 17 ++++++ .../QMC/ene-L32-G0.8.dat | 17 ++++++ .../QMC/ene-L32-G2.0.dat | 17 ++++++ .../QMC/ene-L32-Gamma0.0.dat | 22 -------- .../QMC/ene-L32-Gamma0.5.dat | 22 -------- .../QMC/ene-L32-Gamma0.8.dat | 22 -------- .../QMC/ene-L32-Gamma2.0.dat | 22 -------- .../03_finite_temperature/QMC/ene-L8-G0.0.dat | 17 ++++++ .../03_finite_temperature/QMC/ene-L8-G0.5.dat | 17 ++++++ 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100644 sample/03_finite_temperature/QMC/ene-L32-G0.5.dat create mode 100644 sample/03_finite_temperature/QMC/ene-L32-G0.8.dat create mode 100644 sample/03_finite_temperature/QMC/ene-L32-G2.0.dat delete mode 100644 sample/03_finite_temperature/QMC/ene-L32-Gamma0.0.dat delete mode 100644 sample/03_finite_temperature/QMC/ene-L32-Gamma0.5.dat delete mode 100644 sample/03_finite_temperature/QMC/ene-L32-Gamma0.8.dat delete mode 100644 sample/03_finite_temperature/QMC/ene-L32-Gamma2.0.dat create mode 100644 sample/03_finite_temperature/QMC/ene-L8-G0.0.dat create mode 100644 sample/03_finite_temperature/QMC/ene-L8-G0.5.dat create mode 100644 sample/03_finite_temperature/QMC/ene-L8-G0.8.dat create mode 100644 sample/03_finite_temperature/QMC/ene-L8-G2.0.dat create mode 100644 sample/03_finite_temperature/QMC/exec.sh delete mode 100644 sample/03_finite_temperature/QMC/extract.py create mode 100644 sample/03_finite_temperature/QMC/hamiltonian_G0.0.toml create mode 100644 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sample/03_finite_temperature/QMC/spec-L32-G0.0.dat create mode 100644 sample/03_finite_temperature/QMC/spec-L32-G0.5.dat create mode 100644 sample/03_finite_temperature/QMC/spec-L32-G0.8.dat create mode 100644 sample/03_finite_temperature/QMC/spec-L32-G2.0.dat delete mode 100644 sample/03_finite_temperature/QMC/spec-L32-Gamma0.0.dat delete mode 100644 sample/03_finite_temperature/QMC/spec-L32-Gamma0.5.dat delete mode 100644 sample/03_finite_temperature/QMC/spec-L32-Gamma0.8.dat delete mode 100644 sample/03_finite_temperature/QMC/spec-L32-Gamma2.0.dat create mode 100644 sample/03_finite_temperature/QMC/spec-L8-G0.0.dat create mode 100644 sample/03_finite_temperature/QMC/spec-L8-G0.5.dat create mode 100644 sample/03_finite_temperature/QMC/spec-L8-G0.8.dat create mode 100644 sample/03_finite_temperature/QMC/spec-L8-G2.0.dat create mode 100644 sample/03_finite_temperature/QMC/std.toml diff --git a/docs/sphinx/en/tutorial/03_finite_temperature.rst b/docs/sphinx/en/tutorial/03_finite_temperature.rst index d7467921..50a90005 100644 --- a/docs/sphinx/en/tutorial/03_finite_temperature.rst +++ b/docs/sphinx/en/tutorial/03_finite_temperature.rst @@ -80,10 +80,11 @@ Running the following: gnuplot -persist plot_mx.plt gnuplot -persist plot_mz.plt -will display plots for energy, heat capacity, and magnetizations (:math:`m_x` and :math:`m_z`). The resulting plots are illustrated in :numref:`fig_tutorial8_finitetemperature`. For comparison, results obtained using Quantum Monte Carlo calculations are also shown (using ``ALPS/looper``). +will display plots for energy, heat capacity, and magnetizations (:math:`m_x` and :math:`m_z`). The resulting plots are illustrated in :numref:`fig_tutorial3_finitetemperature`. For comparison, results obtained using Quantum Monte Carlo calculations are also shown (using ``DSQSS/dla``). -.. figure:: ../../img/tutorial_08_finitetemperature.* - :name: fig_tutorial8_finitetemperature +.. figure:: ../../img/tutorial_03_finitetemperature.* + :name: fig_tutorial3_finitetemperature :width: 600px - Graphs for the finite temperature calculations of the Ising model: (a) energy, (b) heat capacity, (c) :math:`m_x`, and (d) :math:`m_z`. The vertical axis represents the physical quantity, and the horizontal axis denotes temperature. + Graphs for the finite temperature calculations of the Ising model: (a) energy, (b) heat capacity, (c) transverse magnetization, and (d) longitudinal magnetization. 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zF{unb6>i%IbAP@cO&iAl~4(K)KG@r15Ydah#y>WyjwzG@Tn*3%3>)<>c$yqRw+ZY03LK zz}9jjUsVCZvxXDB5X+z~yq@szO6gY242A!h z58p8>{A!Yix1^2VIYbulf}aIGY%9_pCbJLUCs<<>5?m~u%i1R{rFAinQCA?3U~Bdq h{S4I*p^ezfS=`zW7ZbQk=`8fXXP5uZ>K&x-{sh4+%&`Cf literal 0 HcmV?d00001 diff --git a/docs/sphinx/ja/tutorial/03_finite_temperature.rst b/docs/sphinx/ja/tutorial/03_finite_temperature.rst index 512b0356..8bc69aaf 100644 --- a/docs/sphinx/ja/tutorial/03_finite_temperature.rst +++ b/docs/sphinx/ja/tutorial/03_finite_temperature.rst @@ -83,11 +83,12 @@ gnuplot -persist plot_mx.plt gnuplot -persist plot_mz.plt -その結果を :numref:`fig_tutorial8_finitetemperature` に示します。 -比較のため、量子モンテカルロ法を用いて計算した結果も一緒に表示しています ( ``ALPS/looper`` を使用)。 +その結果を :numref:`fig_tutorial3_finitetemperature` に示します。 +比較のため、量子モンテカルロ法を用いて計算した結果も一緒に表示しています ( ``DSQSS/dla`` を使用)。 -.. figure:: ../../img/tutorial_08_finitetemperature.* - :name: fig_tutorial8_finitetemperature +.. figure:: ../../img/tutorial_03_finitetemperature.* + :name: fig_tutorial3_finitetemperature :width: 600px - イジング模型の有限温度計算の図: (a) エネルギー、(b) 比熱、(c) :math:`m_x` 、(d) :math:`m_z`. 縦軸は物理量、横軸は温度を表す。 + イジング模型の有限温度計算の図: (a) エネルギー、(b) 比熱、(c) 横磁化、(d) 縦磁化. 縦軸は物理量、横軸は温度を表す。 + 実線はTeNeSによる計算で、四角はDSQSS/dla によるQMC計算(縦磁化は対称性により0)。 diff --git a/sample/03_finite_temperature/QMC/README.md b/sample/03_finite_temperature/QMC/README.md index 990c9ae2..cd786740 100644 --- a/sample/03_finite_temperature/QMC/README.md +++ b/sample/03_finite_temperature/QMC/README.md @@ -1,7 +1,5 @@ -QMC result for TFI model on a square lattice (32x32) by using ALPS/looper (https://github.com/wistaria/alps-looper). +QMC result for TFI model on a square lattice (32x32) by using DSQSS/dla (https://github.com/issp-center-dev/DSQSS). ``` bash -alpspython init_params.py -mpiexec -np 4 loop --mpi params.in.xml -alpspython extract.py +sh exec.sh ``` diff --git a/sample/03_finite_temperature/QMC/common_param.in b/sample/03_finite_temperature/QMC/common_param.in new file mode 100644 index 00000000..46ebdf34 --- /dev/null +++ b/sample/03_finite_temperature/QMC/common_param.in @@ -0,0 +1,18 @@ +algfile = algorithm.xml +cfoutfile = cf.dat +ckoutfile = ck.dat +dispfile = +latfile = lattice.xml +ndecor = 100 +nmcs = 1000 +npre = 100 +nsegmax = 1000000 +nset = 1 +ntau = 10 +ntherm = 1000 +nvermax = 1000000 +outfile = sample.log +seed = 31415 +sfoutfile = sf.dat +simulationtime = 0.0 +wvfile = diff --git a/sample/03_finite_temperature/QMC/ene-L32-G0.0.dat b/sample/03_finite_temperature/QMC/ene-L32-G0.0.dat new file mode 100644 index 00000000..8a81dc55 --- /dev/null +++ b/sample/03_finite_temperature/QMC/ene-L32-G0.0.dat @@ -0,0 +1,17 @@ +0.05 -4.99980181e-01 2.08808266e-05 +0.1 -5.00003110e-01 2.96545797e-05 +0.2 -4.99966568e-01 5.13604499e-05 +0.3 -4.97107059e-01 8.39212834e-05 +0.4 -4.82012323e-01 9.12329162e-05 +0.5 -4.36350861e-01 8.83769241e-05 +0.6 -3.03354382e-01 2.01619971e-04 +0.7 -2.27019658e-01 1.24150843e-04 +0.8 -1.86410413e-01 1.25981974e-04 +0.9 -1.59029118e-01 1.16780148e-04 +1.0 -1.39562195e-01 9.23542274e-05 +1.25 -1.06985798e-01 8.50029530e-05 +1.5 -8.72944107e-02 7.74591774e-05 +1.75 -7.39227066e-02 7.53660220e-05 +2.0 -6.42405701e-02 7.96274629e-05 +5.0 -2.52030945e-02 6.24033826e-05 +10.0 -1.25015259e-02 6.68657911e-05 diff --git a/sample/03_finite_temperature/QMC/ene-L32-G0.5.dat b/sample/03_finite_temperature/QMC/ene-L32-G0.5.dat new file mode 100644 index 00000000..ff6a46e9 --- /dev/null +++ b/sample/03_finite_temperature/QMC/ene-L32-G0.5.dat @@ -0,0 +1,17 @@ +0.05 -5.31430835e-01 3.31061507e-05 +0.1 -5.31394312e-01 3.63992937e-05 +0.2 -5.31226657e-01 4.32862609e-05 +0.3 -5.28012476e-01 5.25922840e-05 +0.4 -5.10925217e-01 7.76729471e-05 +0.5 -4.58354818e-01 1.54247706e-04 +0.6 -3.36928873e-01 1.78395269e-04 +0.7 -2.78432447e-01 1.61493743e-04 +0.8 -2.39934241e-01 1.33767315e-04 +0.9 -2.11651038e-01 1.38187205e-04 +1.0 -1.89516632e-01 1.09982288e-04 +1.25 -1.50984039e-01 1.24529590e-04 +1.5 -1.25525562e-01 9.82966071e-05 +1.75 -1.07453547e-01 9.00208045e-05 +2.0 -9.39877153e-02 8.73243152e-05 +5.0 -3.74733826e-02 7.36017406e-05 +10.0 -1.87540266e-02 6.57126654e-05 diff --git a/sample/03_finite_temperature/QMC/ene-L32-G0.8.dat b/sample/03_finite_temperature/QMC/ene-L32-G0.8.dat new file mode 100644 index 00000000..6a48d2d4 --- /dev/null +++ b/sample/03_finite_temperature/QMC/ene-L32-G0.8.dat @@ -0,0 +1,17 @@ +0.05 -5.81114926e-01 1.70643361e-05 +0.1 -5.81145981e-01 2.68353352e-05 +0.2 -5.80884629e-01 3.51128444e-05 +0.3 -5.76567154e-01 5.08513351e-05 +0.4 -5.55292787e-01 5.48940385e-05 +0.5 -4.78773100e-01 1.04722910e-04 +0.6 -4.04761223e-01 1.04822732e-04 +0.7 -3.57959083e-01 9.57043577e-05 +0.8 -3.21089846e-01 9.80739176e-05 +0.9 -2.90714579e-01 8.20653260e-05 +1.0 -2.65548583e-01 9.04088709e-05 +1.25 -2.17393060e-01 9.01411865e-05 +1.5 -1.83731674e-01 8.33648902e-05 +1.75 -1.59042508e-01 7.59300549e-05 +2.0 -1.39857034e-01 7.72090859e-05 +5.0 -5.68680674e-02 7.56998423e-05 +10.0 -2.84449526e-02 6.68387663e-05 diff --git a/sample/03_finite_temperature/QMC/ene-L32-G2.0.dat b/sample/03_finite_temperature/QMC/ene-L32-G2.0.dat new file mode 100644 index 00000000..19a09dfc --- /dev/null +++ b/sample/03_finite_temperature/QMC/ene-L32-G2.0.dat @@ -0,0 +1,17 @@ +0.05 -1.03345703e+00 7.06985854e-06 +0.1 -1.03346322e+00 9.72959368e-06 +0.2 -1.03276249e+00 1.38597341e-05 +0.3 -1.02804075e+00 1.99193726e-05 +0.4 -1.01554407e+00 2.46899617e-05 +0.5 -9.93844526e-01 3.43947472e-05 +0.6 -9.64045760e-01 4.47763386e-05 +0.7 -9.28539166e-01 5.06634628e-05 +0.8 -8.89730230e-01 6.96461202e-05 +0.9 -8.49493771e-01 7.10855210e-05 +1.0 -8.09324722e-01 7.00970466e-05 +1.25 -7.15135772e-01 9.92169286e-05 +1.5 -6.33915674e-01 1.03120999e-04 +1.75 -5.65613544e-01 1.05536566e-04 +2.0 -5.08999047e-01 1.20128214e-04 +5.0 -2.21063704e-01 1.01488077e-04 +10.0 -1.12226557e-01 1.20685847e-04 diff --git a/sample/03_finite_temperature/QMC/ene-L32-Gamma0.0.dat b/sample/03_finite_temperature/QMC/ene-L32-Gamma0.0.dat deleted file mode 100644 index bbc60eb2..00000000 --- a/sample/03_finite_temperature/QMC/ene-L32-Gamma0.0.dat +++ /dev/null @@ -1,22 +0,0 @@ -# L = 32.0 Gamma = 0.0 -# X: T -# Y: Energy Density -0.05 -0.499992812500001 2.9151725792744308e-05 -0.1 -0.5000194218750053 4.638048301257418e-05 -0.2 -0.4998558085937488 6.202126439593967e-05 -0.3 -0.4970329433593719 8.560415760502322e-05 -0.4 -0.4818261171874998 0.00010996975494161443 -0.5 -0.4363849609375 0.00016611476882180958 -0.6 -0.3030822460937507 0.00025436197560011847 -0.7 -0.22708722460937486 0.000191020018052969 -0.8 -0.18615257812499658 0.00016533146391579866 -0.9 -0.15940345703125047 0.00014858147855676174 -1.0 -0.13936826171875 0.00015222595390379593 -1.25 -0.1070082275390625 0.0001569571977624806 -1.5 -0.087524541015625 0.00015673999175963108 -1.75 -0.073858701171875 0.00016535672083137866 -2.0 -0.064151953125 0.0001744254645204565 -5.0 -0.025057421875 0.0002450650530489517 -10.0 -0.0122623046875 0.00032607476615531176 - - diff --git a/sample/03_finite_temperature/QMC/ene-L32-Gamma0.5.dat b/sample/03_finite_temperature/QMC/ene-L32-Gamma0.5.dat deleted file mode 100644 index 6c5fd58d..00000000 --- a/sample/03_finite_temperature/QMC/ene-L32-Gamma0.5.dat +++ /dev/null @@ -1,22 +0,0 @@ -# L = 32.0 Gamma = 0.5 -# X: T -# Y: Energy Density -0.05 -0.5313553134765652 3.748565971026992e-05 -0.1 -0.5314824453125043 5.849954690516658e-05 -0.2 -0.5311685273437496 7.48476486184708e-05 -0.3 -0.5282199316406249 9.738298141616932e-05 -0.4 -0.5107085156249989 0.00012275165656793833 -0.5 -0.458699443359375 0.0001776547503726233 -0.6 -0.3368626523437474 0.00021240384658201812 -0.7 -0.2781191484375007 0.00019883229056143697 -0.8 -0.23993654687500565 0.0001993892805973693 -0.9 -0.21131274609375136 0.0002091794762984266 -1.0 -0.18950154296875 0.00018953816927160352 -1.25 -0.151240673828125 0.00021209270293833925 -1.5 -0.125410869140625 0.0002000913212525913 -1.75 -0.107362392578125 0.00020984755147934134 -2.0 -0.093820390625 0.00023674488335461086 -5.0 -0.03799755859375 0.0003088981874111099 -10.0 -0.01895390625 0.0003969807628289617 - - diff --git a/sample/03_finite_temperature/QMC/ene-L32-Gamma0.8.dat b/sample/03_finite_temperature/QMC/ene-L32-Gamma0.8.dat deleted file mode 100644 index 13128d0f..00000000 --- a/sample/03_finite_temperature/QMC/ene-L32-Gamma0.8.dat +++ /dev/null @@ -1,22 +0,0 @@ -# L = 32.0 Gamma = 0.8 -# X: T -# Y: Energy Density -0.05 -0.5810807861328138 4.341718398597079e-05 -0.1 -0.5812551425781206 6.34923439811804e-05 -0.2 -0.5810484921874988 9.706865647144667e-05 -0.3 -0.5766317753906263 0.0001117053723134814 -0.4 -0.5552358437499976 0.00016873976909868732 -0.5 -0.47915569335909053 0.0002674453167438385 -0.6 -0.4047338671874984 0.00020965390490904483 -0.7 -0.35790296679687233 0.00021845131802388494 -0.8 -0.32088243749999934 0.00022302394460830982 -0.9 -0.2909683476562516 0.00021772267713710534 -1.0 -0.2652671289064819 0.0002543803883668393 -1.25 -0.2175527832033281 0.00025742225457987746 -1.5 -0.18383305664079824 0.0002407538424803448 -1.75 -0.15849030273451764 0.0002569967644828177 -2.0 -0.13989750000011328 0.0002860778835965716 -5.0 -0.056754980468698334 0.00037648170015384643 -10.0 -0.02863300781248698 0.00046002017669002134 - - diff --git a/sample/03_finite_temperature/QMC/ene-L32-Gamma2.0.dat b/sample/03_finite_temperature/QMC/ene-L32-Gamma2.0.dat deleted file mode 100644 index 17daa3a2..00000000 --- a/sample/03_finite_temperature/QMC/ene-L32-Gamma2.0.dat +++ /dev/null @@ -1,22 +0,0 @@ -# L = 32.0 Gamma = 2.0 -# X: T -# Y: Energy Density -0.05 -1.0334599755859288 8.15961243418434e-05 -0.1 -1.0332957695312643 0.00010785517855673085 -0.2 -1.032796839843743 0.0001598251723175669 -0.3 -1.0280117929687531 0.00020002969583736966 -0.4 -1.0155184531249986 0.00022827728306653704 -0.5 -0.993859052734375 0.0002812672537734482 -0.6 -0.9639512695312594 0.00029828919636949556 -0.7 -0.9279069335937435 0.00033276099878656775 -0.8 -0.8894737343749887 0.0003506234598483194 -0.9 -0.8491067871093733 0.00035250965862460715 -1.0 -0.809234921875 0.0003955081574302917 -1.25 -0.7154190673828125 0.00043529457181856344 -1.5 -0.633995771484375 0.00045706037080446885 -1.75 -0.56572365234375 0.000436309128150606 -2.0 -0.5091771875 0.0005123987703781418 -5.0 -0.22217822265625 0.0005709700066125526 -10.0 -0.112352734375 0.0006542129588533097 - - diff --git a/sample/03_finite_temperature/QMC/ene-L8-G0.0.dat b/sample/03_finite_temperature/QMC/ene-L8-G0.0.dat new file mode 100644 index 00000000..baad46b5 --- /dev/null +++ b/sample/03_finite_temperature/QMC/ene-L8-G0.0.dat @@ -0,0 +1,17 @@ +0.05 -5.00159253e-01 9.30672920e-05 +0.1 -4.99919629e-01 1.73495916e-04 +0.2 -4.99966699e-01 1.96262455e-04 +0.3 -4.96953369e-01 3.38002593e-04 +0.4 -4.82328223e-01 3.41277155e-04 +0.5 -4.36665527e-01 4.10691909e-04 +0.6 -3.34785498e-01 6.19470441e-04 +0.7 -2.39341040e-01 5.96309340e-04 +0.8 -1.89738672e-01 4.21457202e-04 +0.9 -1.60398413e-01 4.28087066e-04 +1.0 -1.39659912e-01 3.72183185e-04 +1.25 -1.06958008e-01 3.12345271e-04 +1.5 -8.73702393e-02 3.27105457e-04 +1.75 -7.41276245e-02 3.25074663e-04 +2.0 -6.43027344e-02 3.00347681e-04 +5.0 -2.53234863e-02 2.77028972e-04 +10.0 -1.22290039e-02 2.80044680e-04 diff --git a/sample/03_finite_temperature/QMC/ene-L8-G0.5.dat b/sample/03_finite_temperature/QMC/ene-L8-G0.5.dat new file mode 100644 index 00000000..7abd469d --- /dev/null +++ b/sample/03_finite_temperature/QMC/ene-L8-G0.5.dat @@ -0,0 +1,17 @@ +0.05 -5.31454499e-01 8.54281036e-05 +0.1 -5.31432644e-01 1.18530337e-04 +0.2 -5.31289349e-01 2.03173374e-04 +0.3 -5.28549420e-01 2.41107650e-04 +0.4 -5.11348491e-01 3.29083853e-04 +0.5 -4.59798041e-01 5.16815474e-04 +0.6 -3.62041218e-01 6.19593875e-04 +0.7 -2.85767047e-01 5.62401068e-04 +0.8 -2.42802905e-01 4.96706454e-04 +0.9 -2.12378125e-01 4.09047256e-04 +1.0 -1.90220035e-01 3.77373724e-04 +1.25 -1.50983882e-01 3.44847039e-04 +1.5 -1.26196373e-01 3.68494618e-04 +1.75 -1.07819052e-01 2.81221951e-04 +2.0 -9.39651352e-02 3.41568846e-04 +5.0 -3.79325171e-02 3.03999914e-04 +10.0 -1.88213041e-02 2.98387343e-04 diff --git a/sample/03_finite_temperature/QMC/ene-L8-G0.8.dat b/sample/03_finite_temperature/QMC/ene-L8-G0.8.dat new file mode 100644 index 00000000..7e8b2c0e --- /dev/null +++ b/sample/03_finite_temperature/QMC/ene-L8-G0.8.dat @@ -0,0 +1,17 @@ +0.05 -5.81154196e-01 6.20772088e-05 +0.1 -5.81106430e-01 8.83811857e-05 +0.2 -5.80738170e-01 1.29976198e-04 +0.3 -5.76663062e-01 1.76245272e-04 +0.4 -5.54957442e-01 2.61751546e-04 +0.5 -4.94761460e-01 3.93833044e-04 +0.6 -4.16909973e-01 3.27461293e-04 +0.7 -3.61932343e-01 3.48490145e-04 +0.8 -3.21627307e-01 3.72442810e-04 +0.9 -2.91476424e-01 3.23326577e-04 +1.0 -2.66141560e-01 3.38671619e-04 +1.25 -2.17215784e-01 3.10803706e-04 +1.5 -1.83834704e-01 3.33848313e-04 +1.75 -1.59337535e-01 3.33318666e-04 +2.0 -1.39913539e-01 3.31162655e-04 +5.0 -5.70513522e-02 3.02868720e-04 +10.0 -2.81830162e-02 2.62714585e-04 diff --git a/sample/03_finite_temperature/QMC/ene-L8-G2.0.dat b/sample/03_finite_temperature/QMC/ene-L8-G2.0.dat new file mode 100644 index 00000000..d29f69b5 --- /dev/null +++ b/sample/03_finite_temperature/QMC/ene-L8-G2.0.dat @@ -0,0 +1,17 @@ +0.05 -1.03348751e+00 2.82680645e-05 +0.1 -1.03349093e+00 3.78317265e-05 +0.2 -1.03279105e+00 5.48501795e-05 +0.3 -1.02791347e+00 7.23643031e-05 +0.4 -1.01557787e+00 1.06438291e-04 +0.5 -9.93989488e-01 1.39009610e-04 +0.6 -9.64342065e-01 1.96901595e-04 +0.7 -9.28454100e-01 2.26078050e-04 +0.8 -8.89789497e-01 2.46143084e-04 +0.9 -8.49259005e-01 3.00206531e-04 +1.0 -8.09314753e-01 3.17427242e-04 +1.25 -7.14924416e-01 2.99522282e-04 +1.5 -6.33769324e-01 3.64199025e-04 +1.75 -5.64987255e-01 4.83053399e-04 +2.0 -5.08643406e-01 4.26461328e-04 +5.0 -2.21293842e-01 4.69051261e-04 +10.0 -1.11479559e-01 5.32677223e-04 diff --git a/sample/03_finite_temperature/QMC/exec.sh b/sample/03_finite_temperature/QMC/exec.sh new file mode 100644 index 00000000..aedc0334 --- /dev/null +++ b/sample/03_finite_temperature/QMC/exec.sh @@ -0,0 +1,24 @@ +for L in 8 32; do + for G in 0.0 0.5 0.8 2.0; do + file_ene=ene-L${L}-G${G}.dat + file_magx=magx-L${L}-G${G}.dat + file_spec=spec-L${L}-G${G}.dat + rm -f $file_ene + rm -f $file_magx + rm -f $file_spec + + dla_alg -l lattice_L${L}.toml -h hamiltonian_G${G}.toml + + for T in 0.05 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 1.25 1.5 1.75 2.0 5.0 10.0; do + cp common_param.in param.in + beta=`echo "1.0/$T" | bc -l` + echo "beta = $beta" >> param.in + srun dla param.in + output=sample-L${L}-G${G}-T${T}.log + mv sample.log $output + grep "ene" $output | awk --assign="T=$T" '{print T,$4,$5}' >> $file_ene + grep "bmzu" $output | awk --assign="T=$T" '{print T,$4,$5}' >> $file_magx + grep "spe" $output | awk --assign="T=$T" '{print T,$4,$5}' >> $file_spec + done + done +done diff --git a/sample/03_finite_temperature/QMC/extract.py b/sample/03_finite_temperature/QMC/extract.py deleted file mode 100644 index 4fa20520..00000000 --- a/sample/03_finite_temperature/QMC/extract.py +++ /dev/null @@ -1,37 +0,0 @@ -import numpy as np -import pyalps -import pyalps.plot as plot - -# Observable name : output_prefix -names = { - "Energy Density": "ene", - "Specific Heat": "spec", -} - -xnames = ["T"] -foreachs = [["L", "Gamma"]] -fe_types = [[np.int64, np.float64]] - - -def extract(data, xname, names, foreach, fe_types): - if np.isscalar(foreach): - foreach = [foreach] - if np.isscalar(fe_types): - fe_types = [fe_types] - for name in names: - for obs in pyalps.collectXY(data, xname, name, foreach=foreach): - vals = [typ(obs.props[sym]) for sym, typ in zip(foreach, fe_types)] - filename = names[name] - for sym, val in zip(foreach, vals): - filename += "-{}{}".format(sym, val) - filename += ".dat" - with open(filename, "w") as f: - f.write(plot.convertToText([obs]).replace(" +/- ", " ")) - - -result_files = pyalps.getResultFiles(prefix="params") - -data = pyalps.loadMeasurements(result_files, names.keys()) - -for xname, fe, fet in zip(xnames, foreachs, fe_types): - extract(data, xname, names, fe, fet) diff --git a/sample/03_finite_temperature/QMC/hamiltonian_G0.0.toml b/sample/03_finite_temperature/QMC/hamiltonian_G0.0.toml new file mode 100644 index 00000000..a9c52316 --- /dev/null +++ b/sample/03_finite_temperature/QMC/hamiltonian_G0.0.toml @@ -0,0 +1,40 @@ +name = "S=1/2 XXZ model" +[[sites]] +type = 0 +N = 2 +values = [ -0.5, 0.5,] +elements = [] +[[sites.sources]] +istate = [ 0,] +fstate = [ 1,] +value = 0.5 + +[[sites.sources]] +istate = [ 1,] +fstate = [ 0,] +value = 0.5 + + +[[interactions]] +type = 0 +nbody = 2 +N = [ 2, 2,] +[[interactions.elements]] +istate = [ 0, 0,] +fstate = [ 1, 1,] +value = -0.25 + +[[interactions.elements]] +istate = [ 0, 1,] +fstate = [ 1, 0,] +value = -0.25 + +[[interactions.elements]] +istate = [ 1, 0,] +fstate = [ 0, 1,] +value = -0.25 + +[[interactions.elements]] +istate = [ 1, 1,] +fstate = [ 0, 0,] +value = -0.25 diff --git a/sample/03_finite_temperature/QMC/hamiltonian_G0.5.toml b/sample/03_finite_temperature/QMC/hamiltonian_G0.5.toml new file mode 100644 index 00000000..3b2ececb --- /dev/null +++ b/sample/03_finite_temperature/QMC/hamiltonian_G0.5.toml @@ -0,0 +1,49 @@ +name = "S=1/2 XXZ model" +[[sites]] +type = 0 +N = 2 +values = [ -0.5, 0.5,] +[[sites.elements]] +istate = [ 0,] +fstate = [ 0,] +value = 0.25 + +[[sites.elements]] +istate = [ 1,] +fstate = [ 1,] +value = -0.25 + +[[sites.sources]] +istate = [ 0,] +fstate = [ 1,] +value = 0.5 + +[[sites.sources]] +istate = [ 1,] +fstate = [ 0,] +value = 0.5 + + +[[interactions]] +type = 0 +nbody = 2 +N = [ 2, 2,] +[[interactions.elements]] +istate = [ 0, 0,] +fstate = [ 1, 1,] +value = -0.25 + +[[interactions.elements]] +istate = [ 0, 1,] +fstate = [ 1, 0,] +value = -0.25 + +[[interactions.elements]] +istate = [ 1, 0,] +fstate = [ 0, 1,] +value = -0.25 + +[[interactions.elements]] +istate = [ 1, 1,] +fstate = [ 0, 0,] +value = -0.25 diff --git a/sample/03_finite_temperature/QMC/hamiltonian_G0.8.toml b/sample/03_finite_temperature/QMC/hamiltonian_G0.8.toml new file mode 100644 index 00000000..ea905516 --- /dev/null +++ b/sample/03_finite_temperature/QMC/hamiltonian_G0.8.toml @@ -0,0 +1,49 @@ +name = "S=1/2 XXZ model" +[[sites]] +type = 0 +N = 2 +values = [ -0.5, 0.5,] +[[sites.elements]] +istate = [ 0,] +fstate = [ 0,] +value = 0.4 + +[[sites.elements]] +istate = [ 1,] +fstate = [ 1,] +value = -0.4 + +[[sites.sources]] +istate = [ 0,] +fstate = [ 1,] +value = 0.5 + +[[sites.sources]] +istate = [ 1,] +fstate = [ 0,] +value = 0.5 + + +[[interactions]] +type = 0 +nbody = 2 +N = [ 2, 2,] +[[interactions.elements]] +istate = [ 0, 0,] +fstate = [ 1, 1,] +value = -0.25 + +[[interactions.elements]] +istate = [ 0, 1,] +fstate = [ 1, 0,] +value = -0.25 + +[[interactions.elements]] +istate = [ 1, 0,] +fstate = [ 0, 1,] +value = -0.25 + +[[interactions.elements]] +istate = [ 1, 1,] +fstate = [ 0, 0,] +value = -0.25 diff --git a/sample/03_finite_temperature/QMC/hamiltonian_G2.0.toml b/sample/03_finite_temperature/QMC/hamiltonian_G2.0.toml new file mode 100644 index 00000000..752a3e41 --- /dev/null +++ b/sample/03_finite_temperature/QMC/hamiltonian_G2.0.toml @@ -0,0 +1,49 @@ +name = "S=1/2 XXZ model" +[[sites]] +type = 0 +N = 2 +values = [ -0.5, 0.5,] +[[sites.elements]] +istate = [ 0,] +fstate = [ 0,] +value = 1.0 + +[[sites.elements]] +istate = [ 1,] +fstate = [ 1,] +value = -1.0 + +[[sites.sources]] +istate = [ 0,] +fstate = [ 1,] +value = 0.5 + +[[sites.sources]] +istate = [ 1,] +fstate = [ 0,] +value = 0.5 + + +[[interactions]] +type = 0 +nbody = 2 +N = [ 2, 2,] +[[interactions.elements]] +istate = [ 0, 0,] +fstate = [ 1, 1,] +value = -0.25 + +[[interactions.elements]] +istate = [ 0, 1,] +fstate = [ 1, 0,] +value = -0.25 + +[[interactions.elements]] +istate = [ 1, 0,] +fstate = [ 0, 1,] +value = -0.25 + +[[interactions.elements]] +istate = [ 1, 1,] +fstate = [ 0, 0,] +value = -0.25 diff --git a/sample/03_finite_temperature/QMC/init_params.py b/sample/03_finite_temperature/QMC/init_params.py deleted file mode 100644 index 5dbafc62..00000000 --- a/sample/03_finite_temperature/QMC/init_params.py +++ /dev/null @@ -1,42 +0,0 @@ -import pyalps - -params = [] - -for L in [32]: - for g in [0.0, 0.5, 0.8, 2.0]: - for t in [ - 0.05, - 0.1, - 0.2, - 0.3, - 0.4, - 0.5, - 0.6, - 0.7, - 0.8, - 0.9, - 1.0, - 1.25, - 1.5, - 1.75, - 2.0, - 5.0, - 10.0, - ]: - params.append( - { - "LATTICE": "square lattice", - "MODEL": "spin", - "local_S": 0.5, - "T": t, - "Jz": -1, - "Jxy": 0, - "THERMALIZATION": 5000, - "SWEEPS": 50000, - "Gamma": g, - "L": L, - "ALGORITHM": "loop", - } - ) - -pyalps.writeInputFiles("params", params) diff --git a/sample/03_finite_temperature/QMC/lattice_L32.toml b/sample/03_finite_temperature/QMC/lattice_L32.toml new file mode 100644 index 00000000..2c20e2e9 --- /dev/null +++ b/sample/03_finite_temperature/QMC/lattice_L32.toml @@ -0,0 +1,31 @@ +[parameter] +name = "hypercubic" +dim = 2 +L = [ 32, 32,] +bc = [ true, true,] +basis = [ [ "1.0", "0.0",], [ "0.0", "1.0",],] + +[unitcell] +[[unitcell.sites]] +siteid = 0 +type = 0 +coord = [ 0.0, 0.0,] + +[[unitcell.bonds]] +bondid = 0 +type = 0 + +[unitcell.bonds.source] +siteid = 0 +[unitcell.bonds.target] +siteid = 0 +offset = [ 1, 0,] +[[unitcell.bonds]] +bondid = 1 +type = 0 + +[unitcell.bonds.source] +siteid = 0 +[unitcell.bonds.target] +siteid = 0 +offset = [ 0, 1,] diff --git a/sample/03_finite_temperature/QMC/lattice_L8.toml b/sample/03_finite_temperature/QMC/lattice_L8.toml new file mode 100644 index 00000000..2280482d --- /dev/null +++ b/sample/03_finite_temperature/QMC/lattice_L8.toml @@ -0,0 +1,31 @@ +[parameter] +name = "hypercubic" +dim = 2 +L = [ 8, 8,] +bc = [ true, true,] +basis = [ [ "1.0", "0.0",], [ "0.0", "1.0",],] + +[unitcell] +[[unitcell.sites]] +siteid = 0 +type = 0 +coord = [ 0.0, 0.0,] + +[[unitcell.bonds]] +bondid = 0 +type = 0 + +[unitcell.bonds.source] +siteid = 0 +[unitcell.bonds.target] +siteid = 0 +offset = [ 1, 0,] +[[unitcell.bonds]] +bondid = 1 +type = 0 + +[unitcell.bonds.source] +siteid = 0 +[unitcell.bonds.target] +siteid = 0 +offset = [ 0, 1,] diff --git a/sample/03_finite_temperature/QMC/magx-L32-G0.0.dat b/sample/03_finite_temperature/QMC/magx-L32-G0.0.dat new file mode 100644 index 00000000..8a305c8f --- /dev/null +++ b/sample/03_finite_temperature/QMC/magx-L32-G0.0.dat @@ -0,0 +1,17 @@ +0.05 1.41173565e-05 1.14818207e-05 +0.1 5.69764544e-06 1.70356895e-05 +0.2 5.24906095e-05 2.81090317e-05 +0.3 -4.84320198e-05 4.53412407e-05 +0.4 4.58794932e-05 3.86307044e-05 +0.5 3.36230818e-05 4.35571342e-05 +0.6 -2.24033814e-04 9.02730139e-05 +0.7 -9.30883658e-05 7.62928013e-05 +0.8 1.34861651e-06 8.01019789e-05 +0.9 -2.79383565e-05 7.40498024e-05 +1.0 -1.42981244e-05 6.87692827e-05 +1.25 -2.19193793e-05 6.30406459e-05 +1.5 -3.24867179e-06 6.11201106e-05 +1.75 -6.86150150e-06 5.06985750e-05 +2.0 5.17364999e-05 6.17417635e-05 +5.0 -1.45570097e-05 5.11976938e-05 +10.0 1.18392984e-05 4.71829163e-05 diff --git a/sample/03_finite_temperature/QMC/magx-L32-G0.5.dat b/sample/03_finite_temperature/QMC/magx-L32-G0.5.dat new file mode 100644 index 00000000..42d585a4 --- /dev/null +++ b/sample/03_finite_temperature/QMC/magx-L32-G0.5.dat @@ -0,0 +1,17 @@ +0.05 1.26331265e-01 1.59505336e-05 +0.1 1.26353351e-01 1.97165972e-05 +0.2 1.26342792e-01 2.90256985e-05 +0.3 1.26821030e-01 2.93328468e-05 +0.4 1.28784821e-01 3.80826348e-05 +0.5 1.35031505e-01 7.69472459e-05 +0.6 1.47470191e-01 9.94013024e-05 +0.7 1.40981539e-01 8.76659758e-05 +0.8 1.31114552e-01 8.24153881e-05 +0.9 1.21149434e-01 8.81436141e-05 +1.0 1.12056182e-01 7.49332645e-05 +1.25 9.34441758e-02 6.89164378e-05 +1.5 7.94108505e-02 5.68569027e-05 +1.75 6.89298150e-02 5.87438421e-05 +2.0 6.08819857e-02 6.08157324e-05 +5.0 2.48565858e-02 5.25082967e-05 +10.0 1.24287075e-02 4.95317813e-05 diff --git a/sample/03_finite_temperature/QMC/magx-L32-G0.8.dat b/sample/03_finite_temperature/QMC/magx-L32-G0.8.dat new file mode 100644 index 00000000..411218c5 --- /dev/null +++ b/sample/03_finite_temperature/QMC/magx-L32-G0.8.dat @@ -0,0 +1,17 @@ +0.05 2.05755597e-01 1.09392464e-05 +0.1 2.05776768e-01 1.70245381e-05 +0.2 2.05855626e-01 2.52305222e-05 +0.3 2.06870823e-01 3.49906495e-05 +0.4 2.11770418e-01 4.15186772e-05 +0.5 2.31175164e-01 5.81015927e-05 +0.6 2.32489291e-01 6.24415603e-05 +0.7 2.19080463e-01 6.65440649e-05 +0.8 2.03754778e-01 6.55861031e-05 +0.9 1.88817724e-01 6.72258516e-05 +1.0 1.75159071e-01 6.63877347e-05 +1.25 1.46757156e-01 6.45802619e-05 +1.5 1.25459757e-01 6.19950970e-05 +1.75 1.09432932e-01 5.66428910e-05 +2.0 9.67520253e-02 5.58949769e-05 +5.0 3.98839124e-02 5.26728808e-05 +10.0 1.99779208e-02 5.18957603e-05 diff --git a/sample/03_finite_temperature/QMC/magx-L32-G2.0.dat b/sample/03_finite_temperature/QMC/magx-L32-G2.0.dat new file mode 100644 index 00000000..a782e592 --- /dev/null +++ b/sample/03_finite_temperature/QMC/magx-L32-G2.0.dat @@ -0,0 +1,17 @@ +0.05 4.80539007e-01 3.42400746e-06 +0.1 4.80530515e-01 4.53291445e-06 +0.2 4.79837527e-01 7.84062488e-06 +0.3 4.76108629e-01 1.04432700e-05 +0.4 4.67949988e-01 1.28570788e-05 +0.5 4.55480834e-01 1.81228529e-05 +0.6 4.39619851e-01 2.28780547e-05 +0.7 4.21626492e-01 2.36905632e-05 +0.8 4.02576034e-01 3.01291850e-05 +0.9 3.83323635e-01 3.13621042e-05 +1.0 3.64355187e-01 3.05435886e-05 +1.25 3.20678323e-01 4.25003816e-05 +1.5 2.83598595e-01 4.12827979e-05 +1.75 2.52637510e-01 4.32690094e-05 +2.0 2.27086499e-01 5.14195299e-05 +5.0 9.83221887e-02 4.40794014e-05 +10.0 4.99025700e-02 5.17271143e-05 diff --git a/sample/03_finite_temperature/QMC/magx-L8-G0.0.dat b/sample/03_finite_temperature/QMC/magx-L8-G0.0.dat new file mode 100644 index 00000000..4b73ddff --- /dev/null +++ b/sample/03_finite_temperature/QMC/magx-L8-G0.0.dat @@ -0,0 +1,17 @@ +0.05 1.58339873e-05 4.21667412e-05 +0.1 -1.36608975e-04 8.52300859e-05 +0.2 4.97413557e-06 9.37595830e-05 +0.3 1.38255050e-04 1.40483096e-04 +0.4 5.08351104e-05 1.63778395e-04 +0.5 6.63774206e-05 1.58837218e-04 +0.6 -7.90411206e-05 2.44384737e-04 +0.7 -2.03115249e-05 2.95437693e-04 +0.8 5.50403684e-05 2.26975185e-04 +0.9 5.52385756e-04 2.83454430e-04 +1.0 1.35897042e-04 2.20215761e-04 +1.25 6.07209084e-04 2.49451164e-04 +1.5 1.82837045e-05 2.48327831e-04 +1.75 -1.28460252e-04 2.45044595e-04 +2.0 -1.53430907e-04 2.05210996e-04 +5.0 -1.23736642e-05 2.04863584e-04 +10.0 -4.06779698e-04 1.91472416e-04 diff --git a/sample/03_finite_temperature/QMC/magx-L8-G0.5.dat b/sample/03_finite_temperature/QMC/magx-L8-G0.5.dat new file mode 100644 index 00000000..2a96e493 --- /dev/null +++ b/sample/03_finite_temperature/QMC/magx-L8-G0.5.dat @@ -0,0 +1,17 @@ +0.05 1.26317103e-01 4.65577443e-05 +0.1 1.26231987e-01 6.76021575e-05 +0.2 1.26227037e-01 1.03229273e-04 +0.3 1.26756800e-01 1.28028247e-04 +0.4 1.28905184e-01 1.71299263e-04 +0.5 1.34432507e-01 2.10223521e-04 +0.6 1.42614761e-01 2.48437636e-04 +0.7 1.39532923e-01 2.98416770e-04 +0.8 1.30863231e-01 2.88415849e-04 +0.9 1.21072168e-01 2.68021385e-04 +1.0 1.11852180e-01 2.33901156e-04 +1.25 9.34185701e-02 2.44376088e-04 +1.5 7.99337624e-02 2.61032451e-04 +1.75 6.87927664e-02 2.23104681e-04 +2.0 6.07447235e-02 2.34350624e-04 +5.0 2.45857374e-02 2.21030434e-04 +10.0 1.24277645e-02 2.07800409e-04 diff --git a/sample/03_finite_temperature/QMC/magx-L8-G0.8.dat b/sample/03_finite_temperature/QMC/magx-L8-G0.8.dat new file mode 100644 index 00000000..84a0d81e --- /dev/null +++ b/sample/03_finite_temperature/QMC/magx-L8-G0.8.dat @@ -0,0 +1,17 @@ +0.05 2.05758189e-01 4.59363461e-05 +0.1 2.05711621e-01 6.54656405e-05 +0.2 2.05847456e-01 9.50519090e-05 +0.3 2.07069123e-01 1.19488461e-04 +0.4 2.11691554e-01 1.74547136e-04 +0.5 2.23475171e-01 2.25676808e-04 +0.6 2.28340835e-01 1.90603984e-04 +0.7 2.18605859e-01 2.28988206e-04 +0.8 2.03385453e-01 2.59995801e-04 +0.9 1.88878214e-01 2.39651419e-04 +1.0 1.75362496e-01 2.78078977e-04 +1.25 1.46670792e-01 2.34144549e-04 +1.5 1.26053146e-01 2.40963459e-04 +1.75 1.09649442e-01 2.34027805e-04 +2.0 9.67443406e-02 2.31023924e-04 +5.0 4.00809749e-02 2.16705176e-04 +10.0 1.97533064e-02 2.10434879e-04 diff --git a/sample/03_finite_temperature/QMC/magx-L8-G2.0.dat b/sample/03_finite_temperature/QMC/magx-L8-G2.0.dat new file mode 100644 index 00000000..29d4bacf --- /dev/null +++ b/sample/03_finite_temperature/QMC/magx-L8-G2.0.dat @@ -0,0 +1,17 @@ +0.05 4.80478984e-01 1.41381133e-05 +0.1 4.80456536e-01 1.86143840e-05 +0.2 4.79694497e-01 2.91476751e-05 +0.3 4.75947557e-01 4.07931372e-05 +0.4 4.67735906e-01 5.80051343e-05 +0.5 4.55409295e-01 7.00028756e-05 +0.6 4.39702795e-01 9.03064656e-05 +0.7 4.21537987e-01 9.47405281e-05 +0.8 4.02566721e-01 1.12787862e-04 +0.9 3.83163035e-01 1.36965754e-04 +1.0 3.64477567e-01 1.43978165e-04 +1.25 3.20640156e-01 1.37795354e-04 +1.5 2.83635456e-01 1.66044867e-04 +1.75 2.52437933e-01 2.16335860e-04 +2.0 2.26986742e-01 1.92449426e-04 +5.0 9.83751925e-02 2.03837566e-04 +10.0 4.95898771e-02 2.23159660e-04 diff --git a/sample/03_finite_temperature/QMC/spec-L32-G0.0.dat b/sample/03_finite_temperature/QMC/spec-L32-G0.0.dat new file mode 100644 index 00000000..9315b0a9 --- /dev/null +++ b/sample/03_finite_temperature/QMC/spec-L32-G0.0.dat @@ -0,0 +1,17 @@ +0.05 -1.06587531e-02 5.28847502e-02 +0.1 2.07256598e-02 2.91243081e-02 +0.2 2.50799508e-02 1.43424784e-02 +0.3 4.74126861e-02 1.47298393e-02 +0.4 2.46409337e-01 9.87578343e-03 +0.5 7.06829281e-01 9.21846031e-03 +0.6 1.25538730e+00 1.31056942e-02 +0.7 5.03966871e-01 6.34868170e-03 +0.8 3.21080675e-01 3.36368679e-03 +0.9 2.25853853e-01 2.39353749e-03 +1.0 1.71303941e-01 1.90965055e-03 +1.25 9.70318186e-02 9.42940904e-04 +1.5 6.40973114e-02 5.85726399e-04 +1.75 4.49037145e-02 4.49753851e-04 +2.0 3.38092834e-02 3.43215554e-04 +5.0 5.03770782e-03 5.26499353e-05 +10.0 1.25515350e-03 1.27886105e-05 diff --git a/sample/03_finite_temperature/QMC/spec-L32-G0.5.dat b/sample/03_finite_temperature/QMC/spec-L32-G0.5.dat new file mode 100644 index 00000000..c44f5b24 --- /dev/null +++ b/sample/03_finite_temperature/QMC/spec-L32-G0.5.dat @@ -0,0 +1,17 @@ +0.05 -3.68801399e-02 6.87727748e-02 +0.1 -3.91447644e-02 2.81810981e-02 +0.2 5.53636602e-03 1.52587040e-02 +0.3 7.43627697e-02 9.30935122e-03 +0.4 2.87412329e-01 8.55451295e-03 +0.5 8.90737115e-01 1.42706973e-02 +0.6 7.69426658e-01 1.03966922e-02 +0.7 4.43392631e-01 5.60993842e-03 +0.8 3.15948785e-01 3.53235116e-03 +0.9 2.43575383e-01 2.71592996e-03 +1.0 2.00190704e-01 1.93764590e-03 +1.25 1.20494624e-01 1.15539364e-03 +1.5 8.31464890e-02 7.85758627e-04 +1.75 6.20244357e-02 4.93241125e-04 +2.0 4.65810654e-02 4.48795722e-04 +5.0 7.51511127e-03 6.04255904e-05 +10.0 1.84702894e-03 1.68326345e-05 diff --git a/sample/03_finite_temperature/QMC/spec-L32-G0.8.dat b/sample/03_finite_temperature/QMC/spec-L32-G0.8.dat new file mode 100644 index 00000000..dd06799c --- /dev/null +++ b/sample/03_finite_temperature/QMC/spec-L32-G0.8.dat @@ -0,0 +1,17 @@ +0.05 -5.81158139e-02 4.04521909e-02 +0.1 -2.94965231e-02 1.69370264e-02 +0.2 1.72841739e-02 1.05830844e-02 +0.3 9.43838248e-02 7.83123529e-03 +0.4 3.66326800e-01 7.18184089e-03 +0.5 1.17639214e+00 9.56913704e-03 +0.6 5.39104204e-01 4.66717132e-03 +0.7 4.01801729e-01 3.37075318e-03 +0.8 3.35598656e-01 2.65405516e-03 +0.9 2.72766980e-01 2.21173460e-03 +1.0 2.33049046e-01 1.57376221e-03 +1.25 1.58639869e-01 1.14086383e-03 +1.5 1.14267261e-01 8.28888957e-04 +1.75 8.64379890e-02 5.97076613e-04 +2.0 6.69423904e-02 3.92807430e-04 +5.0 1.12325332e-02 6.98393878e-05 +10.0 2.82843663e-03 1.85673811e-05 diff --git a/sample/03_finite_temperature/QMC/spec-L32-G2.0.dat b/sample/03_finite_temperature/QMC/spec-L32-G2.0.dat new file mode 100644 index 00000000..c4fe2ed5 --- /dev/null +++ b/sample/03_finite_temperature/QMC/spec-L32-G2.0.dat @@ -0,0 +1,17 @@ +0.05 -1.11079387e-02 5.04017618e-03 +0.1 1.45175705e-03 2.91349661e-03 +0.2 1.85744750e-02 1.64793209e-03 +0.3 8.14154149e-02 1.18824994e-03 +0.4 1.70517950e-01 1.60457876e-03 +0.5 2.59322965e-01 1.79193041e-03 +0.6 3.31038759e-01 1.99261160e-03 +0.7 3.76694579e-01 1.93261414e-03 +0.8 3.95519727e-01 2.01272493e-03 +0.9 3.99755147e-01 2.09438492e-03 +1.0 3.92701344e-01 1.92993189e-03 +1.25 3.50430632e-01 1.72075642e-03 +1.5 2.97310241e-01 1.14351534e-03 +1.75 2.48314612e-01 1.40701914e-03 +2.0 2.08229095e-01 9.61969168e-04 +5.0 4.22630603e-02 1.63838571e-04 +10.0 1.10934473e-02 4.52611791e-05 diff --git a/sample/03_finite_temperature/QMC/spec-L32-Gamma0.0.dat b/sample/03_finite_temperature/QMC/spec-L32-Gamma0.0.dat deleted file mode 100644 index 9e188870..00000000 --- a/sample/03_finite_temperature/QMC/spec-L32-Gamma0.0.dat +++ /dev/null @@ -1,22 +0,0 @@ -# L = 32.0 Gamma = 0.0 -# X: T -# Y: Specific Heat -0.05 -0.01533575572180379 0.14223378946907472 -0.1 -0.011939530185321345 0.06640997592366556 -0.2 0.07038885725390687 0.03258471172660756 -0.3 0.07126463392553063 0.02193658587933345 -0.4 0.2576254900503159 0.015237638627775102 -0.5 0.7176735714442728 0.01709071434533951 -0.6 1.259518379278826 0.024289471096909376 -0.7 0.5307759154666482 0.010867605671194765 -0.8 0.3328506168274017 0.007953620129636218 -0.9 0.2217709166673534 0.006486278044689953 -1.0 0.16754811273837955 0.005683279940597316 -1.25 0.08766867895927188 0.0038380527759843174 -1.5 0.06740859373162966 0.0032265077177618595 -1.75 0.04750451078484526 0.0026101854576051522 -2.0 0.0344952492234043 0.0021420421395912308 -5.0 0.005638375407073763 0.0005631816695538922 -10.0 0.0013980979965587516 0.0003420190066639772 - - diff --git a/sample/03_finite_temperature/QMC/spec-L32-Gamma0.5.dat b/sample/03_finite_temperature/QMC/spec-L32-Gamma0.5.dat deleted file mode 100644 index 629589da..00000000 --- a/sample/03_finite_temperature/QMC/spec-L32-Gamma0.5.dat +++ /dev/null @@ -1,22 +0,0 @@ -# L = 32.0 Gamma = 0.5 -# X: T -# Y: Specific Heat -0.05 0.21997971554398 0.1567778102847988 -0.1 -0.04071568316369634 0.0799059664836569 -0.2 -0.00220516344121717 0.045720560823110386 -0.3 0.026410612112814764 0.026743124578832954 -0.4 0.2657618031529534 0.021839195779607468 -0.5 0.8745704694904042 0.024161647639750306 -0.6 0.7942676950363778 0.020932310772574778 -0.7 0.4544852907275393 0.01127744594448625 -0.8 0.3355895374174094 0.011354061323315708 -0.9 0.23485335088911852 0.008310781996380395 -1.0 0.17969369127017387 0.006832080911343617 -1.25 0.12934626564389665 0.006315683161744611 -1.5 0.08191118718372699 0.004069330418972058 -1.75 0.05785371746812345 0.0034224887468652957 -2.0 0.04487913718870007 0.0031104405223092504 -5.0 0.008012960904960297 0.0011164616255566195 -10.0 0.0019972935731806516 0.0005153746090392444 - - diff --git a/sample/03_finite_temperature/QMC/spec-L32-Gamma0.8.dat b/sample/03_finite_temperature/QMC/spec-L32-Gamma0.8.dat deleted file mode 100644 index 93e75309..00000000 --- a/sample/03_finite_temperature/QMC/spec-L32-Gamma0.8.dat +++ /dev/null @@ -1,22 +0,0 @@ -# L = 32.0 Gamma = 0.8 -# X: T -# Y: Specific Heat -0.05 -0.11111145473951689 0.19799950202194333 -0.1 -0.05384909858040099 0.08604500969440577 -0.2 0.013445086127864492 0.05168223900974315 -0.3 0.07321221140636054 0.03347460855713425 -0.4 0.3777768289838246 0.02257470832958602 -0.5 1.2041911929479312 0.03295413757317936 -0.6 0.5435441243360665 0.017731418041496468 -0.7 0.4092113167242005 0.016316047136670165 -0.8 0.3414533099076573 0.011816378592870838 -0.9 0.2949442070065372 0.012023786645604165 -1.0 0.24222035654555452 0.009906332196881711 -1.25 0.16186997993953814 0.007445887124318286 -1.5 0.11779262373846287 0.0050011693404425845 -1.75 0.08920841073656825 0.004672658148772219 -2.0 0.07501437737136518 0.004222663627315222 -5.0 0.009190736212082684 0.0014134242788539724 -10.0 0.0022545366354382165 0.0005516591780502381 - - diff --git a/sample/03_finite_temperature/QMC/spec-L32-Gamma2.0.dat b/sample/03_finite_temperature/QMC/spec-L32-Gamma2.0.dat deleted file mode 100644 index f57d3576..00000000 --- a/sample/03_finite_temperature/QMC/spec-L32-Gamma2.0.dat +++ /dev/null @@ -1,22 +0,0 @@ -# L = 32.0 Gamma = 2.0 -# X: T -# Y: Specific Heat -0.05 0.44014164146836876 0.36050035568853195 -0.1 -0.21709298110828357 0.18511305303716144 -0.2 -0.1540125710416369 0.08577897899627551 -0.3 0.05352906485496218 0.06858548471692796 -0.4 0.12403433868042413 0.045281854556770765 -0.5 0.26460913283422194 0.03747610471789959 -0.6 0.34564812825356606 0.03883107510580354 -0.7 0.4225184808025325 0.02921056870395435 -0.8 0.41660319008696156 0.025028776026099576 -0.9 0.40695900276525526 0.01999052763150167 -1.0 0.3964258850737732 0.019523253462568065 -1.25 0.37615811587003845 0.01615990422179899 -1.5 0.2918917366841003 0.013703435283639938 -1.75 0.23406854591928475 0.00908153198303733 -2.0 0.20089594503848662 0.010017069129018352 -5.0 0.0456336444544529 0.0029913974835368757 -10.0 0.012113946446786114 0.0011362228718908662 - - diff --git a/sample/03_finite_temperature/QMC/spec-L8-G0.0.dat b/sample/03_finite_temperature/QMC/spec-L8-G0.0.dat new file mode 100644 index 00000000..83fb93fc --- /dev/null +++ b/sample/03_finite_temperature/QMC/spec-L8-G0.0.dat @@ -0,0 +1,17 @@ +0.05 -2.92456260e-02 5.12590596e-02 +0.1 9.80715527e-03 3.40190513e-02 +0.2 -6.62423535e-03 1.24347186e-02 +0.3 5.29304131e-02 1.29885888e-02 +0.4 2.53938362e-01 9.15445148e-03 +0.5 7.04869257e-01 9.62590157e-03 +0.6 1.15090804e+00 1.16493103e-02 +0.7 6.68181002e-01 7.04232272e-03 +0.8 3.61535463e-01 3.33767200e-03 +0.9 2.33504295e-01 2.71601840e-03 +1.0 1.70366500e-01 1.70551671e-03 +1.25 9.65735332e-02 9.72009741e-04 +1.5 6.29408560e-02 6.74643736e-04 +1.75 4.58835815e-02 4.83350889e-04 +2.0 3.44307139e-02 3.55322663e-04 +5.0 5.07385303e-03 7.24952233e-05 +10.0 1.24972119e-03 3.30375953e-05 diff --git a/sample/03_finite_temperature/QMC/spec-L8-G0.5.dat b/sample/03_finite_temperature/QMC/spec-L8-G0.5.dat new file mode 100644 index 00000000..7a56adb3 --- /dev/null +++ b/sample/03_finite_temperature/QMC/spec-L8-G0.5.dat @@ -0,0 +1,17 @@ +0.05 5.57090967e-04 4.88414902e-02 +0.1 -3.91212857e-02 2.01884283e-02 +0.2 -1.65853216e-03 1.40589324e-02 +0.3 7.42880386e-02 9.42689495e-03 +0.4 2.93629075e-01 9.50215455e-03 +0.5 7.83875798e-01 1.19723032e-02 +0.6 9.63469116e-01 1.02062454e-02 +0.7 5.62957233e-01 6.02809417e-03 +0.8 3.49824863e-01 3.98058699e-03 +0.9 2.53176916e-01 2.73535792e-03 +1.0 1.99483353e-01 1.81105885e-03 +1.25 1.21894234e-01 1.10991992e-03 +1.5 8.34367941e-02 7.92407104e-04 +1.75 6.21121901e-02 6.00583413e-04 +2.0 4.67572957e-02 4.44472047e-04 +5.0 7.50851100e-03 7.80925511e-05 +10.0 1.87299258e-03 2.92468682e-05 diff --git a/sample/03_finite_temperature/QMC/spec-L8-G0.8.dat b/sample/03_finite_temperature/QMC/spec-L8-G0.8.dat new file mode 100644 index 00000000..896990ec --- /dev/null +++ b/sample/03_finite_temperature/QMC/spec-L8-G0.8.dat @@ -0,0 +1,17 @@ +0.05 1.96648008e-03 4.00023181e-02 +0.1 2.56335134e-02 1.96109716e-02 +0.2 6.93448206e-03 9.27972361e-03 +0.3 9.71272809e-02 5.90189782e-03 +0.4 3.71599047e-01 7.42120591e-03 +0.5 7.88311995e-01 7.42399914e-03 +0.6 6.72243695e-01 5.24195663e-03 +0.7 4.55599727e-01 3.98390830e-03 +0.8 3.41484428e-01 2.90201761e-03 +0.9 2.78151555e-01 2.32204302e-03 +1.0 2.30843648e-01 1.87816742e-03 +1.25 1.59461632e-01 1.08333897e-03 +1.5 1.14234224e-01 8.07173449e-04 +1.75 8.55937130e-02 6.01790074e-04 +2.0 6.63179269e-02 4.46583975e-04 +5.0 1.11330492e-02 7.77835615e-05 +10.0 2.83318543e-03 2.70263807e-05 diff --git a/sample/03_finite_temperature/QMC/spec-L8-G2.0.dat b/sample/03_finite_temperature/QMC/spec-L8-G2.0.dat new file mode 100644 index 00000000..a77680b7 --- /dev/null +++ b/sample/03_finite_temperature/QMC/spec-L8-G2.0.dat @@ -0,0 +1,17 @@ +0.05 -1.23385037e-04 6.09211478e-03 +0.1 -2.32090002e-04 3.20727940e-03 +0.2 2.07929412e-02 1.69170651e-03 +0.3 8.33741059e-02 1.64173133e-03 +0.4 1.70590309e-01 1.67498882e-03 +0.5 2.59099634e-01 2.12331306e-03 +0.6 3.28224194e-01 2.13856789e-03 +0.7 3.79081648e-01 2.42120130e-03 +0.8 3.98321620e-01 2.12116352e-03 +0.9 4.02596645e-01 2.25856151e-03 +1.0 3.95558068e-01 2.05551661e-03 +1.25 3.51312455e-01 1.91494451e-03 +1.5 2.97203716e-01 1.45939085e-03 +1.75 2.49910834e-01 1.13181452e-03 +2.0 2.07599889e-01 9.38131665e-04 +5.0 4.26782647e-02 2.00502865e-04 +10.0 1.11317925e-02 4.85086659e-05 diff --git a/sample/03_finite_temperature/QMC/std.toml b/sample/03_finite_temperature/QMC/std.toml new file mode 100644 index 00000000..9e3d06f5 --- /dev/null +++ b/sample/03_finite_temperature/QMC/std.toml @@ -0,0 +1,19 @@ +[hamiltonian] +model = "spin" +M = 1 # S=1/2 +Jz = -1.0 # coupling constant, negative for AF +Jxy = -1.0 # coupling constant, negative for AF +h = 0.5 # magnetic field + +[lattice] +lattice = "hypercubic" # hypercubic, periodic +dim = 2 # dimension +L = 32 # number of sites along each direction + +[parameter] +beta = 100 # inverse temperature +nset = 5 # set of Monte Carlo sweeps +npre = 10 # MCSteps to estimate hyperparameter +ntherm = 10 # MCSweeps for thermalization +nmcs = 100 # MCSweeps for measurement +seed = 31415 # seed of RNG diff --git a/sample/03_finite_temperature/plot_c.plt b/sample/03_finite_temperature/plot_c.plt index c5ea84ff..d62f5f90 100644 --- a/sample/03_finite_temperature/plot_c.plt +++ b/sample/03_finite_temperature/plot_c.plt @@ -10,10 +10,10 @@ set yl "specific heat" plot \ "spec_zero.dat" u (1/$1):2 w l lc "black" t"iTPS h_x=0.0", \ -"QMC/spec-L32-Gamma0.0.dat" w yer lc "black" pt 5 t"QMC h_x=0.0", \ +"QMC/spec-L32-G0.0.dat" w yer lc "black" pt 5 t"QMC h_x=0.0", \ "spec_weak.dat" u (1/$1):2 w l lc "red" t"iTPS h_x=0.5", \ -"QMC/spec-L32-Gamma0.5.dat" w yer lc "red" pt 5 t"QMC h_x=0.5", \ +"QMC/spec-L32-G0.5.dat" w yer lc "red" pt 5 t"QMC h_x=0.5", \ "spec_middle.dat" u (1/$1):2 w l lc "green" t"iTPS h_x=0.8", \ -"QMC/spec-L32-Gamma0.8.dat" w yer lc "green" pt 5 t"QMC h_x=0.8", \ +"QMC/spec-L32-G0.8.dat" w yer lc "green" pt 5 t"QMC h_x=0.8", \ "spec_strong.dat" u (1/$1):2 w l lc "blue" t"iTPS h_x=2.0", \ -"QMC/spec-L32-Gamma2.0.dat" w yer lc "blue" pt 5 t"QMC h_x=2.0", \ +"QMC/spec-L32-G2.0.dat" w yer lc "blue" pt 5 t"QMC h_x=2.0", \ diff --git a/sample/03_finite_temperature/plot_e.plt b/sample/03_finite_temperature/plot_e.plt index 76484576..de3ae0ce 100644 --- a/sample/03_finite_temperature/plot_e.plt +++ b/sample/03_finite_temperature/plot_e.plt @@ -9,10 +9,10 @@ set yl "energy density" plot \ "energy_zero.dat" u (1/$1):2 w l lc "black" t"iTPS h_x=0.0", \ -"QMC/ene-L32-Gamma0.0.dat" w yer lc "black" pt 5 t"QMC h_x=0.0", \ +"QMC/ene-L32-G0.0.dat" w yer lc "black" pt 5 t"QMC h_x=0.0", \ "energy_weak.dat" u (1/$1):2 w l lc "red" t"iTPS h_x=0.5", \ -"QMC/ene-L32-Gamma0.5.dat" w yer lc "red" pt 5 t"QMC h_x=0.5", \ +"QMC/ene-L32-G0.5.dat" w yer lc "red" pt 5 t"QMC h_x=0.5", \ "energy_middle.dat" u (1/$1):2 w l lc "green" t"iTPS h_x=0.8", \ -"QMC/ene-L32-Gamma0.8.dat" w yer lc "green" pt 5 t"QMC h_x=0.8", \ +"QMC/ene-L32-G0.8.dat" w yer lc "green" pt 5 t"QMC h_x=0.8", \ "energy_strong.dat" u (1/$1):2 w l lc "blue" t"iTPS h_x=2.0", \ -"QMC/ene-L32-Gamma2.0.dat" w yer lc "blue" pt 5 t"QMC h_x=2.0", \ +"QMC/ene-L32-G2.0.dat" w yer lc "blue" pt 5 t"QMC h_x=2.0", \ diff --git a/sample/03_finite_temperature/plot_mx.plt b/sample/03_finite_temperature/plot_mx.plt index 423e53c6..d1bbbeb2 100644 --- a/sample/03_finite_temperature/plot_mx.plt +++ b/sample/03_finite_temperature/plot_mx.plt @@ -2,8 +2,15 @@ set ytics 0.1 set xlabel "T" set ylabel "" -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" +set xrange [0.1:10.0] +set yrange [-0.01:0.5] + +p [0.1:10] \ +"magnetization_x_zero.dat" u (1/$1):2 w l lc "black" t "h_x = 0.0",\ +"QMC/magx-L32-G0.0.dat" w yer lc "black" pt 5 t "QMC h_x=0.0",\ +"magnetization_x_weak.dat" u (1/$1):2 w l lc "red" t "h_x = 0.5",\ +"QMC/magx-L32-G0.5.dat" w yer lc "red" pt 5 t "QMC h_x=0.5",\ +"magnetization_x_middle.dat" u (1/$1):2 w l lc "green" t "h_x = 0.8",\ +"QMC/magx-L32-G0.8.dat" w yer lc "green" pt 5 t "QMC h_x=0.8",\ +"magnetization_x_strong.dat" u (1/$1):2 w l lc "blue" t "h_x = 2.0",\ +"QMC/magx-L32-G2.0.dat" w yer lc "blue" pt 5 t "QMC h_x=2.0" diff --git a/sample/03_finite_temperature/plot_mz.plt b/sample/03_finite_temperature/plot_mz.plt index 091bf9b7..3815a0f4 100644 --- a/sample/03_finite_temperature/plot_mz.plt +++ b/sample/03_finite_temperature/plot_mz.plt @@ -2,8 +2,11 @@ set ytics 0.1 set xlabel "T" set ylabel "||" -p [:5] \ -"magnetization_zero.dat" u (1/$1):(abs($2)) w lp ti "h_x = 0",\ -"magnetization_weak.dat" u (1/$1):(abs($2)) w lp ti "h_x = 0.5",\ -"magnetization_middle.dat" u (1/$1):(abs($2)) w lp ti "h_x = 0.8",\ -"magnetization_strong.dat" u (1/$1):(abs($2)) w lp ti "h_x = 2.0" +set xr [0.1:10.0] +set yr [-0.01:0.5] + +p \ +"magnetization_zero.dat" u (1/$1):(abs($2)) w l lc "black" t "h_x = 0",\ +"magnetization_weak.dat" u (1/$1):(abs($2)) w l lc "red" t "h_x = 0.5",\ +"magnetization_middle.dat" u (1/$1):(abs($2)) w l lc "green" t "h_x = 0.8",\ +"magnetization_strong.dat" u (1/$1):(abs($2)) w l lc "blue" t "h_x = 2.0"