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remove o2 produced field from output
1 parent 33931b7 commit 1dd1457

1 file changed

Lines changed: 1 addition & 8 deletions

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mp_api/client/core/_oxygen_evolution.py

Lines changed: 1 addition & 8 deletions
Original file line numberDiff line numberDiff line change
@@ -137,7 +137,7 @@ def stairstep(x, y, z):
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new_y[1::2] = y[isort][:-1]
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new_z[::2] = z[isort]
140-
new_z[1::2] = z[isort][1:]
140+
new_z[1::2] = z[isort][:-1]
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return new_x, new_y, new_z
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@@ -161,7 +161,6 @@ def get_oxygen_evolution_from_phase_diagram(
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for composition in set(compositions)
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}
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164-
target_comp = Composition({"O": 1})
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for formula, data in by_dict.items():
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for idx, entry in enumerate(data):
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# Normalize all reactions to have integer coefficients
@@ -170,12 +169,6 @@ def get_oxygen_evolution_from_phase_diagram(
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c * scale for c in entry["reaction"]._coeffs
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]
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173-
by_dict[formula][idx]["O2_produced"] = (
174-
entry["reaction"].get_coeff(target_comp)
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if target_comp in entry["reaction"].products
176-
else 0
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)
178-
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oxy_evo_data = {
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formula: {
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k: [data[idx][k] for idx in range(len(data))]

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