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Commit 8f95c6e

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author
Han Wang
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Merge with marian:master
2 parents a1cb245 + 4e3fe70 commit 8f95c6e

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4 files changed

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dpdata/vasp/outcar.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -128,5 +128,5 @@ def analyze_block(lines, ntot, nelm) :
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tmp_l = lines[jj]
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info = [float(ss) for ss in tmp_l.split()]
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coord.append(info[:3])
131-
force.append(info[3:])
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force.append(info[3:6])
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return coord, cell, energy, force, virial, is_converge

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