ondracka electronic-parsers issues

ondracka / electronic-parsers

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VASP OUTCAR parsing sometimes fail

#21 ondracka opened 2 months ago
2
FHIaims: smearing kind and width improvements

#20 SimonKratochvil closed 3 months ago
0
FHIaims: Scf threshold energy change

#19 SimonKratochvil closed 3 months ago
1
FHIaims smearing

#18 SimonKratochvil closed 3 months ago
3
Wien2k: core-hole parsing

#17 jfrodlova opened 3 months ago
3
OpenMX: K-mesh improvements

#16 SimonKratochvil closed 4 months ago
0
FHI-aims parse smearing

#15 ondracka opened 4 months ago
0
K-mesh improvements for OpenMX

#14 ondracka closed 4 months ago
0
Latest changes: FHI-aims

#13 SimonKratochvil closed 4 months ago
2
FHI-aims threshold_energy_change

#12 ondracka opened 4 months ago
0
Tracking precision parameters with upstream NOMAD for simple Si and C systems

#11 ondracka opened 4 months ago
3
Quantum espresso: Scf threshold enregy change

#10 SimonKratochvil closed 4 months ago
0
missing DFT precision parameters - k-line density

#9 ondracka opened 5 months ago
0
OpenMX: k_mesh_grid

#8 ondracka closed 5 months ago
1
Qunatumespresso: parse scf/threshold_energy_change

#7 ondracka closed 4 months ago
0
Add stress parsing functionality

#6 jfrodlova closed 5 months ago
2
Wien2k: core-hole parsing

#5 ondracka opened 8 months ago
1
Add date_start and date_end for openmx parser

#4 jfrodlova closed 7 months ago
4
OpenMX: fix structure parsing fallback

#3 ondracka opened 9 months ago
1
OpenMX: parse stress

#2 ondracka closed 5 months ago
0
OpenMX: parse timing information

#1 ondracka closed 5 months ago
2