diff --git a/docs/sphinx/en/how_to_use/standard_usage.rst b/docs/sphinx/en/how_to_use/standard_usage.rst index 79d11f8c..49c394a9 100644 --- a/docs/sphinx/en/how_to_use/standard_usage.rst +++ b/docs/sphinx/en/how_to_use/standard_usage.rst @@ -10,7 +10,11 @@ Usage of ``tenes_std`` $ tenes_std std.toml -- Takes a file as an argument +- Takes input files as arguments + - Multiple input files can be specified + - When parameters are duplicated, ``tenes_std`` stops with an error + - Sections that can be specified multiple times, such as ``[[observable.onesite]]``, can be specified in multiple input files simultaneously + - In this case, the sections in the latter input file are appended to those in the former input file - Output an input file for ``tenes`` - Command line options are as follows - ``--help`` diff --git a/docs/sphinx/ja/how_to_use/standard_usage.rst b/docs/sphinx/ja/how_to_use/standard_usage.rst index caac478b..03b56812 100644 --- a/docs/sphinx/ja/how_to_use/standard_usage.rst +++ b/docs/sphinx/ja/how_to_use/standard_usage.rst @@ -7,10 +7,14 @@ .. code:: bash - $ tenes_std std.toml + $ tenes_std std.toml [std_2.toml ...] - 引数としてファイルを取ります + - 複数の入力ファイルからひとつの出力ファイルを生成可能です + - 同じ名前のパラメータを複数の入力で指定した場合はエラー終了します + - ``[[observable.onesite]]`` などの複数指定できるセクションについては同時に指定可能です + - 後ろのファイルの内容が前のファイルの内容に追記されます - ``tenes`` の入力ファイルを出力します - コマンドラインオプションは以下の通りです - ``--help`` diff --git a/sample/05_hardcore_boson_triangular/run.py b/sample/05_hardcore_boson_triangular/run.py index d9ff6920..ffcb4137 100644 --- a/sample/05_hardcore_boson_triangular/run.py +++ b/sample/05_hardcore_boson_triangular/run.py @@ -96,13 +96,10 @@ cmd = f"tenes_simple {simple_toml} -o {std_toml}" subprocess.call(cmd.split()) + cmd = f"tenes_std -o {input_toml} {std_toml}" if calculate_sq: - # append twosite observable to std.toml - with open(std_toml, "a") as f: - with open("nn_obs.toml") as fin: - for line in fin: - f.write(line) - cmd = f"tenes_std {std_toml} -o {input_toml}" + # twosite observable are also calculated + cmd += " nn_obs.toml" subprocess.call(cmd.split()) cmd = f"{MPI_cmd} tenes {input_toml}" diff --git a/test/data/output_std_mode.toml b/test/data/output_std_mode.toml index 35717d20..ad3c2064 100644 --- a/test/data/output_std_mode.toml +++ b/test/data/output_std_mode.toml @@ -56,6 +56,14 @@ bonds = """ 1 1 1 """ ops = [0, 1] +[[observable.multisite]] +name = "multisite" +group = 0 +dim= [2, 2, 2] +multisites = """ +0 1 0 0 1 +""" +ops = [0, 0, 0] [evolution] [[evolution.simple]] diff --git a/test/data/std_mode_multi.toml b/test/data/std_mode_multi.toml new file mode 100644 index 00000000..ad94a525 --- /dev/null +++ b/test/data/std_mode_multi.toml @@ -0,0 +1,10 @@ +[observable] + +[[observable.multisite]] +name = "multisite" +group = 0 +dim= [2, 2, 2] +multisites = """ +0 1 0 0 1 +""" +ops = [0, 0, 0] diff --git a/test/std_mode.py.in b/test/std_mode.py.in index a0d9a1f9..fedd809b 100644 --- a/test/std_mode.py.in +++ b/test/std_mode.py.in @@ -44,6 +44,7 @@ cmd = [ "-o", join("output_std_mode.toml"), join("data", "std_mode.toml"), + join("data", "std_mode_multi.toml"), ] subprocess.call(cmd) @@ -101,6 +102,28 @@ if not obs_result: print('check for the section "observable.twosite" fails') result = False +obs_result = True +if len(res['observable']['multisite']) != len(ref['observable']['multisite']): + obs_result = False + result = False +else: + for obs_res, obs_ref in zip(res['observable']['multisite'], ref['observable']['multisite']): + obs_result = obs_result and obs_res['name'] == obs_ref['name'] + obs_result = obs_result and obs_res['group'] == obs_ref['group'] + obs_result = obs_result and obs_res['multisites'] == obs_ref['multisites'] + if 'elements' in obs_ref: + obs_result = obs_result and 'elements' in obs_res + obs_result = obs_result and obs_res['dim'] == obs_ref['dim'] + elem_res = load_str_as_array(obs_res['elements']) + elem_ref = load_str_as_array(obs_ref['elements']) + obs_result = obs_result and np.allclose(elem_ref, elem_res) + else: + obs_result = obs_result and 'elements' not in obs_res + obs_result = obs_result and obs_res['ops'] == obs_ref['ops'] +if not obs_result: + print('check for the section "observable.multisite" fails') + result = False + for name in ('simple', 'full'): evo_result = True diff --git a/tool/tenes_std.py b/tool/tenes_std.py index 240a072d..4eb0c15e 100644 --- a/tool/tenes_std.py +++ b/tool/tenes_std.py @@ -14,7 +14,6 @@ # You should have received a copy of the GNU General Public License # along with this program. If not, see http://www.gnu.org/licenses -from collections import namedtuple from itertools import product from typing import ( TextIO, @@ -89,6 +88,75 @@ def value_to_str(v) -> str: return "{}".format(v) +def merge_input_dict( + d1: dict, d2: dict +) -> None: + section1 = d1.get("parameter", {}) + section2 = d2.get("parameter", {}) + subsection_names = ("general", "simple_update", "full_update", "ctm", "random") + for name in subsection_names: + sub1 = section1.get(name, {}) + sub2 = section2.get(name, {}) + for k in sub1.keys(): + if k in sub2: + msg = f"parameter.{name}.{k} is defined in multiple input files" + raise RuntimeError(msg) + for k in sub2.keys(): + sub1[k] = sub2[k] + if len(sub1) > 0: + section1[name] = sub1 + if len(section1) > 0: + d1["parameter"] = section1 + + section_names = ("correlation", "correlation_length") + for section_name in section_names: + section1 = d1.get(section_name, {}) + section2 = d2.get(section_name, {}) + for name in section1.keys(): + if name in section2: + msg = f"{section_name}.{name} is defined in multiple input files" + raise RuntimeError(msg) + for name in section2.keys(): + section1[name] = section2[name] + if len(section1) > 0: + d1[section_name] = section1 + + section1 = d1.get("tensor", {}) + section2 = d2.get("tensor", {}) + for k in section1.keys(): + if k == "unitcell": continue + if k in section2: + msg = f"tensor.{k} is defined in multiple input files" + raise RuntimeError(msg) + for k in section2.keys(): + if k == "unitcell": continue + section1[k] = section2[k] + if "unitcell" not in section1: + section1["unitcell"] = [] + for u2 in section2.get("unitcell", []): + section1["unitcell"].append(u2) + if len(section1) > 0: + d1["tensor"] = section1 + + section1 = d1.get("hamiltonian", []) + section2 = d2.get("hamiltonian", []) + for h2 in section2: + section1.append(h2) + if len(section1) > 0: + d1["hamiltonian"] = section1 + + section1 = d1.get("observable", {}) + section2 = d2.get("observable", {}) + for name in ("onesite", "twosite", "multisite"): + sub1 = section1.get(name, []) + sub2 = section2.get(name, []) + for o2 in sub2: + sub1.append(o2) + if len(sub1) > 0: + section1[name] = sub1 + if len(section1) > 0: + d1["observable"] = section1 + class Bond: source_site: int dx: int @@ -1172,7 +1240,7 @@ def to_toml(self, f: TextIO): description="Input converter for TeNeS", add_help=True ) - parser.add_argument("input", help="Input TOML file") + parser.add_argument("input", nargs="+", help="Input TOML file") parser.add_argument( "-o", "--output", dest="output", default="input.toml", help="Output TOML file" @@ -1183,11 +1251,14 @@ def to_toml(self, f: TextIO): args = parser.parse_args() - if args.input == args.output: + if args.output in args.input: print("The names of input and output are the same") sys.exit(1) - param = toml.load(args.input) + params = [lower_dict(toml.load(f)) for f in args.input] + param = params[0] + for p in params[1:]: + merge_input_dict(param, p) model = Model(param) with open(args.output, "w") as f: