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Commit 815857e

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author
Jon Drobny
committed
Fix issue #204.
1 parent 0f5d806 commit 815857e

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src/lib.rs

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -855,9 +855,9 @@ pub fn compound_bca_list_py(energies: Vec<f64>, ux: Vec<f64>, uy: Vec<f64>, uz:
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particle.Z,
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particle.m/AMU,
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energy_out,
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particle.pos.x,
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particle.pos.y,
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particle.pos.z,
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particle.pos.x/ANGSTROM,
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particle.pos.y/ANGSTROM,
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particle.pos.z/ANGSTROM,
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particle.dir.x,
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particle.dir.y,
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particle.dir.z,

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