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nomad-lab
parser-octopus
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testing
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master
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testing
legacy-metainfo
nomad-coe
preMetaRename
1.1.0
1.0.0
0.0.0
8 results
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Created with Raphaël 2.2.0
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Removed unecessary symlink.
master
master
Fixed undefined eFermi variable and lint issues
Further update of README.md; mv metadata.yml -> metadata.yaml
Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags
Fermi energy: fixed bug on unopened section_single_configuration_calculation
Fermi energy: added capability to parse from static/info
dirty commit. I am moving files to new installation
Parser optimizations.
Remove dependency on old metainfo.
Added metainfo python code.
Try to find non mainfiles in more directories.
legacy-metainfo
legacy-metainfo
Relexed handling of decoding errors while reading all files in directory.
Fixed metainfo path calculations.
Nomad-faird
meta 2.0 changes
nomad-coe
nomad-coe
Merge branch 'auto-license-info' into 'master'
Added copyright statements and license.
include name and email address
preMetaRename
preMetaRename
remove other unused module
add license headers
add LICENSE file
more cleanup
clean up extraneous code which is not used for parsing
clean up vestigial code from certain octopus parser modules, moving the remainder into the main module
include new tests
add test outputs corresponding to newer octopus
new Fe test for devel version
fix bad variable name
get labels correctly
attempt to handle units correctly
get coordinates from parser log, or from coordinates file taken from parser log. Get cell from static/info if it is listed
license header for scala files
fix handling of complex numbers
fix typo
try to represent basis set correctly
apparently, sometimes some quantities like spacing are not written to the parser log. Thus, use the parser log to override spacing only when possible.
1.1.0
1.1.0
ignore metadata that cannot be converted to proper type. (complex arithmetic expressions, unrecognized constants, etc.)
remember to set datatype
updates to ASE interface. Now supports experimental Octopus feature LatticeVectors, will not crash with spinors, input file parser can evaluate simple mathematical expressions (like 5 * angstrom) and uses a namespace to manage assignments
be more robust to unknown keywords
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