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nomad-coe
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electronic-parsers
Apache License 2.0
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Fix actions
#185
ladinesa
closed
7 months ago
0
Integrate castep_outputs parser
#184
ladinesa
opened
7 months ago
2
Fixing geomopt steps in CP2K
#183
JosePizarro3
closed
7 months ago
2
Fixed DMFT workflow TB sections
#182
JosePizarro3
closed
7 months ago
0
Core hole vasp
#181
ndaelman-hu
closed
6 months ago
23
Fix pdos and traj parsing in cp2k
#180
ladinesa
closed
7 months ago
2
chore: use a separate action for ruff linting
#179
blueraft
closed
7 months ago
2
Adopt ruff
#178
blueraft
closed
7 months ago
0
170 broken parsing of 0d systems in crystal
#177
ndaelman-hu
closed
8 months ago
9
Modify text parser
#176
ladinesa
closed
8 months ago
1
Add support for initial model names in w2dynamics
#175
JosePizarro3
closed
8 months ago
0
Magnetic moments in VASP
#174
ndaelman-hu
opened
8 months ago
1
Add support for initial model names in w2dynamics
#173
JosePizarro3
closed
8 months ago
0
Boltzmann Transport Equations Schema
#172
ndaelman-hu
closed
8 months ago
0
Parsing of .magres files
#171
jkshenton
opened
8 months ago
29
Broken parsing of 0D systems in Crystal
#170
ndaelman-hu
closed
8 months ago
15
Added exciting github commit hash
#169
ladinesa
closed
7 months ago
0
Add MBPP-DMFT parser
#168
JosePizarro3
opened
9 months ago
0
Update parser tests for new thermostat metainfo
#167
JFRudzinski
closed
9 months ago
3
Refactor extract_section
#166
JosePizarro3
closed
9 months ago
1
Update Gromacs and Lammps for new thermostat and barostat metainfo
#165
JFRudzinski
closed
9 months ago
0
Fix solid dmft
#164
JosePizarro3
closed
9 months ago
3
Add calculation time
#163
ladinesa
closed
8 months ago
2
Handling of workflows in turbomole
#162
ladinesa
opened
9 months ago
0
Multi run in QuantumEspresso
#161
ladinesa
opened
9 months ago
0
Fix error with `silicon_versions` fixture and `parse_native_tiers`
#160
ndaelman-hu
closed
9 months ago
5
Handle workflows in psi4 correctly
#159
ladinesa
opened
10 months ago
2
OpenMX parser: parse more MD details
#158
ondracka
closed
9 months ago
18
Incorrect pdos parsing
#157
JosePizarro3
opened
10 months ago
0
Deleting or working on the FPLO parser.
#156
JosePizarro3
opened
10 months ago
8
Minor fix
#155
ladinesa
closed
10 months ago
0
TBStudio parser
#154
JosePizarro3
closed
7 months ago
10
Fix atom positions
#153
ndaelman-hu
opened
10 months ago
0
VASP 6 format: fix atom positions
#152
ndaelman-hu
opened
10 months ago
0
Implement pdos cp2k
#151
JosePizarro3
closed
8 months ago
16
148 handle changing symmetries in vasp
#150
ndaelman-hu
opened
10 months ago
3
Provide support for restart calcs in cp2k
#149
ladinesa
closed
10 months ago
2
Handle changing symmetries in VASP
#148
ndaelman-hu
opened
10 months ago
3
140 cp2k geoopt fix
#147
ladinesa
closed
10 months ago
0
Fixed wannier90 parsing
#146
JosePizarro3
closed
10 months ago
0
FHI-aims testing error
#145
JosePizarro3
closed
9 months ago
4
eDMFT parser
#144
JosePizarro3
closed
10 months ago
7
Remove ams warning in loop.
#143
ladinesa
closed
11 months ago
0
114 harmonize ams parser
#142
ladinesa
closed
11 months ago
0
Fix CP2K SinglePoint
#141
JosePizarro3
closed
11 months ago
8
Bug on parsing GeometryOptimization in CP2K
#140
JosePizarro3
closed
10 months ago
6
126 apw missing energy parameters
#139
ndaelman-hu
opened
11 months ago
1
131 fhi aims unclear extraction of species
#138
ndaelman-hu
opened
11 months ago
0
w2dynamics test failing
#137
JosePizarro3
closed
11 months ago
0
w2dynamics test failing
#136
JosePizarro3
closed
11 months ago
3
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