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Ionizing
/
rsgrad
A VASP calculation monitor. Written in Rust
MIT License
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Maximum force does not read correctly
#13
tw2469
closed
1 month ago
2
Can not correctly read abnormal terminated OUTCAR
#12
tw2469
closed
1 month ago
2
`pot` may fail with complain about "Error: missing field `PAW_PBE`"
#11
Ionizing
closed
2 months ago
3
`pot` may fail with complain about Error: missing field `PAW_PBE``
#10
Ionizing
closed
2 months ago
1
`chg` get wrong length from POSCAR with extra-long axis.
#9
Ionizing
closed
2 months ago
1
`workfunc` may fail on `LNONCOLLINEAR=T` systems.
#8
Ionizing
closed
2 months ago
2
Add unitary transform for wavefunctions in `WAVECAR`
#7
Ionizing
opened
3 months ago
1
Add atom sort function in the order of positions to make NEB preparation easier
#6
Ionizing
opened
9 months ago
2
Implementing Linear-Tetrahedron integration algorithm
#5
Ionizing
opened
10 months ago
0
Update rust.yml
#4
Ionizing
closed
2 years ago
0
Add more comments in the source code
#3
Satinelamp
opened
2 years ago
1
POSCAR option and failure on OUTCARs contain "Primitive cell"
#2
Ionizing
closed
3 years ago
0
Several bugfix
#1
Ionizing
closed
3 years ago
0