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finish Calculation.read_vasprun_xml #1

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skirklin opened this issue Apr 12, 2014 · 0 comments
Open

finish Calculation.read_vasprun_xml #1

skirklin opened this issue Apr 12, 2014 · 0 comments
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@mohanliu
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@skirklin
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Started a method for reading VASP calculations from vasprun.xml file, but I didn't finish it. Needs to: read initial and final positions, read energies, forces, total magnetic moments, and stresses. Also needs to read atomic magnetic moments and atomic volumes if lorbit=11.
mohanliu pushed a commit that referenced this issue Sep 7, 2019
@tachyontraveler
Merge pull request #1 from wolverton-research-group/master
0d95b50 
Pulling changes from Main master to Personal fork
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@skirklin @mohanliu