mirror of https://github.com/phonopy/phono3py.git
37 lines
1.2 KiB
Plaintext
37 lines
1.2 KiB
Plaintext
digraph phonopy {
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graph [bgcolor=transparent];
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"Phono3py (force-sets)" [shape = box, style = filled];
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"Phono3py (FC)" [shape = box, style = filled];
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"Phono3py (LTC)" [shape = box, style = filled];
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"Force calc." [shape = octagon];
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"Force-constants calc." [shape = octagon];
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subgraph ph3force {
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"Unit cell" -> "Phono3py (force-sets)";
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"Supercell matrix" -> "Phono3py (force-sets)";
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"Phono3py (force-sets)" -> "Supercell";
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"Phono3py (force-sets)" -> "Displacement dataset";
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"Supercell" -> "Force calc.";
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"Displacement dataset" -> "Force calc.";
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"Force calc." -> "Supercell-force sets";
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}
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subgraph ph3fc {
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"Unit cell" -> "Phono3py (FC)";
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"Supercell matrix" -> "Phono3py (FC)";
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"Displacement dataset" -> "Phono3py (FC)";
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"Supercell-force sets" -> "Phono3py (FC)";
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"Phono3py (FC)" -> "Force-constants calc.";
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"Force-constants calc." -> "Force constants (fc2, fc3)";
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}
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subgraph ph3ltc {
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"Unit cell" -> "Phono3py (LTC)";
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"Supercell matrix" -> "Phono3py (LTC)";
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"Primitive cell matrix\n(optional)" -> "Phono3py (LTC)";
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"Non-analytical term\ncorrection parameters\n(optional)" -> "Phono3py (LTC)";
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"Force constants (fc2, fc3)" -> "Phono3py (LTC)";
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"Phono3py (LTC)" -> "Lattice thermal conductivity";
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}
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}
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