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azadoks
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PseudoPotentialIO.jl
Support for reading and using pseudopotentials in Julia
https://azadoks.github.io/PseudoPotentialIO.jl/
MIT License
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Parser, dumper and converter for USPP
#14
unkcpz
opened
5 months ago
0
Remove non I/O features from the package. Implement bi-directional UPF <-> PSP8 conversion. Implement PSP8 writer.
#13
azadoks
opened
9 months ago
0
Implement write function of upf file
#12
unkcpz
closed
9 months ago
5
Possible flag-based interface to reduce duplication
#11
azadoks
opened
1 year ago
4
New release and docs
#10
azadoks
closed
1 year ago
0
Ultrasoft
#9
azadoks
opened
1 year ago
0
Benchmarks
#8
azadoks
opened
1 year ago
0
Interface
#7
azadoks
closed
1 year ago
8
Correct typo
#6
mfherbst
closed
1 year ago
0
TagBot trigger issue
#5
JuliaTagBot
closed
1 year ago
3
CompatHelper: add new compat entry for EzXML at version 1, (keep existing compat)
#4
github-actions[bot]
closed
1 year ago
0
PSP8 -- UPFv2 Beta Projector agreement
#3
azadoks
closed
1 year ago
0
Design Considerations
#2
azadoks
opened
2 years ago
7
CompatHelper: add new compat entry for EzXML at version 1, (keep existing compat)
#1
github-actions[bot]
closed
1 year ago
0