diff --git a/doc/en/dla/users-manual/output.rst b/doc/en/dla/users-manual/output.rst index 7168e3dd..85190a98 100644 --- a/doc/en/dla/users-manual/output.rst +++ b/doc/en/dla/users-manual/output.rst @@ -21,47 +21,62 @@ The first character stands for the meaning of the line. The following one is a result of an antiferromagnetic Heisenberg chain. :: - C This is DSQSS ver.1.2.0 + C This is DSQSS ver.v2.0.0 + I N_PROC = 1 P D = 1 P L = 8 P BETA = 10.0000000000000000 P NSET = 10 - P NMCSE = 1000 - P NMCSD = 1000 + P NPRE = 1000 + P NTHERM = 1000 + P NDECOR = 1000 P NMCS = 1000 P SEED = 198212240 P NSEGMAX = 10000 P NVERMAX = 10000 + P BETA = 10.000000000000 + P NTAU = 10 P NCYC = 7 P ALGFILE = algorithm.xml P LATFILE = lattice.xml - P CFINPFILE = cf.xml - P SFINPFILE = sf.xml - P CKINPFILE = sf.xml - P OUTFILE = res.dat.000 - P CFOUTFILE = cfout.dat.000 - P SFOUTFILE = sfout.dat.000 - P CKOUTFILE = ckout.dat.000 + P WVFILE = wv.xml + P DISPFILE = disp.xml + P OUTFILE = sample.log + P CFOUTFILE = cf.dat + P SFOUTFILE = sf.dat + P CKOUTFILE = ck.dat P SIMULATIONTIME = 0.000000 + R sign = 1.00000000e+00 0.00000000e+00 R anv = 3.03805000e+00 1.25395375e-02 R ene = -4.55991910e-01 1.20267537e-03 R spe = -1.76672204e-02 4.09064489e-02 + R som = -1.76672204e-01 4.09064489e-01 R len = 1.20014021e+01 4.78403202e-02 R xmx = 3.00035053e-01 1.19600800e-03 R amzu = -2.00000000e-04 1.08972474e-04 R bmzu = -2.00000000e-04 1.08972474e-04 R smzu = 1.32382500e-03 1.40792745e-04 R xmzu = 1.32382500e-02 1.40792745e-03 - R amzs = -9.25000000e-04 4.02247160e-03 - R bmzs = -2.03918502e-04 2.22828174e-03 - R smzs = 8.72503175e-01 8.93939492e-03 - R xmzs = 3.00500011e+00 2.99056535e-02 - R time = 9.01378000e-08 1.61529255e-09 + R ds1 = -1.32954309e-03 7.87178338e-04 + R wi2 = 2.31040000e+01 3.83762890e-01 + R rhos = 1.44400000e-01 2.39851806e-03 + R rhof = inf nan + R comp = 2.43165481e+35 1.71412709e+35 + R amzs0 = -2.00000000e-04 1.08972474e-04 + R bmzs0 = 1.65625000e-04 1.76161818e-05 + R smzs0 = 1.32382500e-03 1.40792745e-04 + R xmzs0 = 1.32382500e-02 1.40792745e-03 + R amzs1 = -9.25000000e-04 4.02247160e-03 + R bmzs1 = 1.09209375e-01 1.12051866e-03 + R smzs1 = 8.72503175e-01 8.93939492e-03 + R xmzs1 = 3.00500011e+00 2.99056535e-02 + R time = 1.03679300e-07 1.22794234e-09 I [the maximum number of segments] = 123 I [the maximum number of vertices] = 66 I [the maximum number of reg. vertex info.] = 3 + Notations ----------- @@ -131,10 +146,18 @@ Main results are written in a file with the name specified by ``outfile`` keywor The specific heat :math:`\displaystyle C_V \equiv \frac{\partial \epsilon}{\partial T}` + +``som`` + The ratio of the specific heat and the temperature. + + :math:`\displaystyle \gamma \equiv \frac{C_V}{T} = \beta C_V` + ``len`` The mean length of worm + ``xmx`` The transverse susceptibility + ``amzu`` The "magnetization" (uniform, :math:`\tau=0`). @@ -187,6 +210,34 @@ Main results are written in a file with the name specified by ``outfile`` keywor :math:`\displaystyle \chi^{zz}(\vec{k}, \omega=0) = \beta N_s \left[\left\langle (\tilde{m}_K^z)^2 \right\rangle - \left\langle \tilde{m}_K^z \right\rangle^2 \right]` + +``wi2`` + The winding number. + + :math:`\displaystyle W^2 = \sum_{d=1}^D L_d^2 \left\langle W_d^2 \right\rangle` + +``rhos`` + The superfluid density. + + :math:`\displaystyle \rho_s = \frac{W^2}{2DV\beta}` + + +``rhof`` + The superfluid fraction. + + :math:`\displaystyle \frac{\rho_s}{\left\langle m^z \right\rangle}` + + +``comp`` + The compressibility. + + :math:`\displaystyle \frac{\chi^{zz}(\vec{k}=0,\omega=0)} {\left\langle \tilde{m}^z \right\rangle^2}` + + +``time`` + The time in a Monte Carlo sweep (in seconds.) + + Structure factor output **************************************** The structure factor is written into a file with the name specified by ``sfoutfile`` keyword in the input file. diff --git a/doc/jp/dla/users-manual/output.rst b/doc/jp/dla/users-manual/output.rst index 28c57685..077d08f7 100644 --- a/doc/jp/dla/users-manual/output.rst +++ b/doc/jp/dla/users-manual/output.rst @@ -20,48 +20,63 @@ DLA は計算結果を行区切りのプレーンテキストファイルで出 以下にサンプル（反強磁性ハイゼンベルグ鎖）を示します. :: + + C This is DSQSS ver.v2.0.0 - C This is DSQSS ver.1.2.0 - + I N_PROC = 1 P D = 1 P L = 8 P BETA = 10.0000000000000000 P NSET = 10 - P NMCSE = 1000 - P NMCSD = 1000 + P NPRE = 1000 + P NTHERM = 1000 + P NDECOR = 1000 P NMCS = 1000 P SEED = 198212240 P NSEGMAX = 10000 P NVERMAX = 10000 + P BETA = 10.000000000000 + P NTAU = 10 P NCYC = 7 P ALGFILE = algorithm.xml P LATFILE = lattice.xml - P CFINPFILE = cf.xml - P SFINPFILE = sf.xml - P CKINPFILE = sf.xml - P OUTFILE = res.dat.000 - P CFOUTFILE = cfout.dat.000 - P SFOUTFILE = sfout.dat.000 - P CKOUTFILE = ckout.dat.000 + P WVFILE = wv.xml + P DISPFILE = disp.xml + P OUTFILE = sample.log + P CFOUTFILE = cf.dat + P SFOUTFILE = sf.dat + P CKOUTFILE = ck.dat P SIMULATIONTIME = 0.000000 + R sign = 1.00000000e+00 0.00000000e+00 R anv = 3.03805000e+00 1.25395375e-02 R ene = -4.55991910e-01 1.20267537e-03 R spe = -1.76672204e-02 4.09064489e-02 + R som = -1.76672204e-01 4.09064489e-01 R len = 1.20014021e+01 4.78403202e-02 R xmx = 3.00035053e-01 1.19600800e-03 R amzu = -2.00000000e-04 1.08972474e-04 R bmzu = -2.00000000e-04 1.08972474e-04 R smzu = 1.32382500e-03 1.40792745e-04 R xmzu = 1.32382500e-02 1.40792745e-03 - R amzs = -9.25000000e-04 4.02247160e-03 - R bmzs = -2.03918502e-04 2.22828174e-03 - R smzs = 8.72503175e-01 8.93939492e-03 - R xmzs = 3.00500011e+00 2.99056535e-02 - R time = 9.01378000e-08 1.61529255e-09 + R ds1 = -1.32954309e-03 7.87178338e-04 + R wi2 = 2.31040000e+01 3.83762890e-01 + R rhos = 1.44400000e-01 2.39851806e-03 + R rhof = inf nan + R comp = 2.43165481e+35 1.71412709e+35 + R amzs0 = -2.00000000e-04 1.08972474e-04 + R bmzs0 = 1.65625000e-04 1.76161818e-05 + R smzs0 = 1.32382500e-03 1.40792745e-04 + R xmzs0 = 1.32382500e-02 1.40792745e-03 + R amzs1 = -9.25000000e-04 4.02247160e-03 + R bmzs1 = 1.09209375e-01 1.12051866e-03 + R smzs1 = 8.72503175e-01 8.93939492e-03 + R xmzs1 = 3.00500011e+00 2.99056535e-02 + R time = 1.03679300e-07 1.22794234e-09 I [the maximum number of segments] = 123 I [the maximum number of vertices] = 66 I [the maximum number of reg. vertex info.] = 3 + 以下の物理量定義に現れる記号の意味を示します. :math:`N_s` @@ -137,8 +152,10 @@ DLA は計算結果を行区切りのプレーンテキストファイルで出 ``len`` 平均ワーム長さ. + ``xmx`` 横感受率. + ``amzu`` 「磁化」(uniform, :math:`\tau=0`). @@ -189,6 +206,33 @@ DLA は計算結果を行区切りのプレーンテキストファイルで出 :math:`\displaystyle \chi^{zz}(\vec{k}, \omega=0) = \beta N_s \left[\left\langle (\tilde{m}_K^z)^2 \right\rangle - \left\langle \tilde{m}_K^z \right\rangle^2 \right]` +``wi2`` + ワインディングナンバー. + + :math:`\displaystyle W^2 = \sum_{d=1}^D L_d^2 \left\langle W_d^2 \right\rangle` + +``rhos`` + 超流動密度. + + :math:`\displaystyle \rho_s = \frac{W^2}{2DV\beta}` + + +``rhof`` + 超流動比 (superfluid fraction). + + :math:`\displaystyle \frac{\rho_s}{\left\langle m^z \right\rangle}` + + +``comp`` + 圧縮率 (compressibility). + + :math:`\displaystyle \frac{\chi^{zz}(\vec{k}=0,\omega=0)} {\left\langle \tilde{m}^z \right\rangle^2}` + + +``time`` + モンテカルロスイープあたりの計算時間（秒）. + + 構造因子出力ファイル **************************************** 構造因子出力ファイルは, 入力パラメータファイルの ``sfoutfile`` キーワードで指定した名前で出力されます. diff --git a/tool/cmake/install.sh.in b/tool/cmake/install.sh.in index 9877be20..70dfd01d 100644 --- a/tool/cmake/install.sh.in +++ b/tool/cmake/install.sh.in @@ -9,14 +9,15 @@ if ! @PYTHON_EXECUTABLE@ -m pip --version >/dev/null 2>/dev/null ;then fi set -e +PIP_USER=0 @PYTHON_EXECUTABLE@ -m pip install -U pip --prefix=@CMAKE_INSTALL_PREFIX@ PIP_USER=0 @PYTHON_EXECUTABLE@ -m pip install wheel --prefix=@CMAKE_INSTALL_PREFIX@ --no-warn-script-location DSQSS_VERSION=$(@PYTHON_EXECUTABLE@ setup.py --version) @PYTHON_EXECUTABLE@ setup.py bdist_wheel --universal mkdir -p temp cd temp -# install dependencies if not installed -PIP_USER=0 @PYTHON_EXECUTABLE@ -m pip install ../dist/dsqss-${DSQSS_VERSION}-py2.py3-none-any.whl --prefix=@CMAKE_INSTALL_PREFIX@ --no-warn-script-location +# To reinstall dsqss forcely, remove old dsqss package +# `pip uninstall dsqss` removes ALL libraries and binaries +rm -rf @DSQSS_PYTHONPATH@/dsqss* -# forcely install dsqss -PIP_USER=0 @PYTHON_EXECUTABLE@ -m pip install --no-deps --force-reinstall ../dist/dsqss-${DSQSS_VERSION}-py2.py3-none-any.whl --prefix=@CMAKE_INSTALL_PREFIX@ --no-warn-script-location +PIP_USER=0 @PYTHON_EXECUTABLE@ -m pip install ../dist/dsqss-${DSQSS_VERSION}-py2.py3-none-any.whl --prefix=@CMAKE_INSTALL_PREFIX@ --no-warn-script-location diff --git a/tool/dsqss/std_lattice.py b/tool/dsqss/std_lattice.py index a65fe6e6..82c09fb8 100644 --- a/tool/dsqss/std_lattice.py +++ b/tool/dsqss/std_lattice.py @@ -74,13 +74,27 @@ def main(): ) args = parser.parse_args() - inp = toml.load(args.input) - lat, lattice_dict = std_lattice(inp, True) + istoml = True + try: + inp = toml.load(args.input) + except toml.TomlDecodeError: + istoml = False + print("Input file seems not to be TOML file.") + + if istoml: + lat, lattice_dict = std_lattice(inp, True) + else: + lat = Lattice(args.input) + if len(args.out) > 0: lat.save_dat(args.out) if len(args.toml) > 0: - with codecs.open(args.toml, "w", "utf-8") as f: - toml.dump(lattice_dict, f) + if istoml: + with codecs.open(args.toml, "w", "utf-8") as f: + toml.dump(lattice_dict, f) + else: + ERROR("Cannot generate a lattice TOML file from a lattice data file.") + if len(args.gnuplot) > 0: lat.write_gnuplot(args.gnuplot)