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36 Open 39 Closed
36 Open 39 Closed
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Issues list

Add VASP HDF5 parser feature / enhancement New feature or request
#267 opened Dec 4, 2024 by ndaelman-hu
1
Move NMR schema to entrypoint feature / enhancement New feature or request
#266 opened Nov 21, 2024 by ndaelman-hu
@ndaelman-hu
Deprecate extends_base_section feature / enhancement New feature or request
#264 opened Nov 15, 2024 by ndaelman-hu
@ndaelman-hu
Extract FHI-aims ZPE feature / enhancement New feature or request
#262 opened Nov 4, 2024 by ndaelman-hu
CP2K parser yields trajectory errors for finished trajectories bug Something isn't working. It also represents a quick fix in response to a bug.
#253 opened Sep 16, 2024 by ndaelman-hu
3
IR/UV/XAS spectra data missing
#249 opened Sep 5, 2024 by caraortizmah
1
Robustify exciting parser bug Something isn't working. It also represents a quick fix in response to a bug.
#237 opened Jul 17, 2024 by ndaelman-hu
@ndaelman-hu
Broken type matching bug Something isn't working. It also represents a quick fix in response to a bug.
#234 opened Jun 24, 2024 by ndaelman-hu
6
Extended test cases feature / enhancement New feature or request help wanted Extra attention is needed wontfix This will not be worked on
#233 opened Jun 21, 2024 by ndaelman-hu
1 task
Parser migration
CP2K parser crashes when Kerker mixing is used bug Something isn't working. It also represents a quick fix in response to a bug. good first issue Good for newcomers
#228 opened Jun 4, 2024 by behnle
3
CP2K parser crashes when printlevel was reduced bug Something isn't working. It also represents a quick fix in response to a bug. good first issue Good for newcomers
#227 opened Jun 4, 2024 by behnle
5
Abinit parser is breaks due to input vars bug Something isn't working. It also represents a quick fix in response to a bug.
#210 opened Mar 6, 2024 by ndaelman-hu
@JosePizarro3
2
VASP kpoint count error bug Something isn't working. It also represents a quick fix in response to a bug.
#209 opened Mar 5, 2024 by ndaelman-hu
@ndaelman-hu
VASP DOS out of scale bug Something isn't working. It also represents a quick fix in response to a bug. feature / enhancement New feature or request
#208 opened Mar 5, 2024 by ndaelman-hu
@ndaelman-hu
CP2K trajectories failing bug Something isn't working. It also represents a quick fix in response to a bug.
#207 opened Mar 5, 2024 by ndaelman-hu
@ndaelman-hu
1
Inconsistent k-point grids in QE
#203 opened Feb 23, 2024 by ondracka
Minor issues when parsing Quantum ESPRESSO geometry optimizations
#201 opened Feb 21, 2024 by ondracka
1 of 3 tasks
2
Integrate castep_outputs parser
#184 opened Nov 23, 2023 by ladinesa
2 tasks
@ladinesa
2
Magnetic moments in VASP feature / enhancement New feature or request good first issue Good for newcomers
#174 opened Oct 30, 2023 by ndaelman-hu
1
1
Parsing of .magres files feature / enhancement New feature or request good first issue Good for newcomers
#171 opened Oct 24, 2023 by jkshenton
1
29
Add MBPP-DMFT parser feature / enhancement New feature or request
#168 opened Sep 28, 2023 by JosePizarro3
@JosePizarro3
Handling of workflows in turbomole
#162 opened Sep 13, 2023 by ladinesa
@ladinesa
Multi run in QuantumEspresso
#161 opened Sep 13, 2023 by ladinesa
@ladinesa
Handle workflows in psi4 correctly
#159 opened Sep 11, 2023 by ladinesa
@ladinesa
2
Incorrect pdos parsing bug Something isn't working. It also represents a quick fix in response to a bug.
#157 opened Sep 11, 2023 by JosePizarro3
@JosePizarro3
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