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Updates C++ and some unit tests (#97)
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RATapi/examples/absorption/absorption.ipynb

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@@ -36,7 +36,7 @@
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"metadata": {},
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"outputs": [],
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"source": [
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"problem = RAT.Project(name=\"Absorption example\", calculation=\"non polarised\", model=\"custom layers\", geometry=\"substrate/liquid\", absorption=True)"
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"problem = RAT.Project(name=\"Absorption example\", calculation=\"normal\", model=\"custom layers\", geometry=\"substrate/liquid\", absorption=True)"
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]
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},
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{

RATapi/examples/absorption/absorption.py

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@@ -9,7 +9,7 @@ def absorption():
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"""Custom layers model including absorption"""
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problem = RAT.Project(
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name="Absorption example",
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calculation="non polarised",
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calculation="normal",
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model="custom layers",
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geometry="substrate/liquid",
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absorption=True,

RATapi/examples/convert_rascal_project/convert_rascal.ipynb

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RATapi/examples/domains/domains_custom_XY.ipynb

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RATapi/examples/domains/domains_custom_layers.ipynb

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RATapi/examples/domains/domains_standard_layers.ipynb

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RATapi/examples/languages/setup_problem.py

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@@ -38,7 +38,7 @@ def make_example_problem():
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# and H2O. Load these datafiles in and put them in the data block
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# Read in the datafiles
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data_path = pathlib.Path("../data")
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data_path = pathlib.Path(__file__).parents[1] / "data"
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D2O_data = np.loadtxt(data_path / "c_PLP0016596.dat", delimiter=",")
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SMW_data = np.loadtxt(data_path / "c_PLP0016601.dat", delimiter=",")
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H2O_data = np.loadtxt(data_path / "c_PLP0016607.dat", delimiter=",")

RATapi/examples/non_polarised/DSPC_custom_xy.ipynb

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RATapi/examples/non_polarised/DSPC_standard_layers.ipynb

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