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qzhu2017
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XRD
X-ray diffraction calculations
MIT License
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VXRD: Uploads
#20
Closed
sabaronett
closed
4 years ago
sabaronett
commented
4 years ago
Issues
~Currently, after a successful submission, form requires user to re-upload CIF.~
Since POSCAR doesn't have file ext., had to temp. disabled built-in file upload form validator
Bad files (CIF/POSCAR) or other file formats result in error
Tasks
[x] Allow use of last upload for subsequent parameter changes/calculations by default. fb85cf479ba0c199aae08ef015139d484ff044ee
[x]
Add POSCAR support
041bead7e3cbba0ba7592b7038ac7a23d21798bb
[x] Finish custom validator using
ase.io.read
85201a5d7304765cada5f5cf224aeb823af59ee5
Issues
Tasks
ase.io.read
85201a5d7304765cada5f5cf224aeb823af59ee5