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May 18, 2025
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2 changes: 1 addition & 1 deletion .pre-commit-config.yaml
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
---
exclude: ^(yard/data/)
exclude: ^(yard/data/lfs)
repos:
- repo: https://github.com/pre-commit/pre-commit-hooks
rev: v4.6.0
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4 changes: 2 additions & 2 deletions yard/data/extractors/galvani.yml
Original file line number Diff line number Diff line change
Expand Up @@ -33,12 +33,12 @@ usage:
setup: galvani
command: galvani.BioLogic.MPRfile({{ input_path }}).data
supported_filetypes:
- biologic-mpr
- biologic-mpr
- method: python
setup: galvani
command: galvani.BioLogic.MPTfile({{ input_path }})
supported_filetypes:
- biologic-mpt
- biologic-mpt
installation:
- method: pip
packages:
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2 changes: 1 addition & 1 deletion yard/data/extractors/pasta-converters.yml
Original file line number Diff line number Diff line change
Expand Up @@ -24,7 +24,7 @@ citations:
- uri: https://github.com/PASTA-ELN/Converters
creators:
- S. Brinckmann
title: 'converters from binary files to hdf5'
title: converters from binary files to hdf5
type: software
usage:
- method: cli
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12 changes: 7 additions & 5 deletions yard/data/extractors/quantumespresso.yml
Original file line number Diff line number Diff line change
@@ -1,7 +1,8 @@
---
id: qe-tools
name: Tools for Quantum ESPRESSO
description: A set of tools for the Quantum ESPRESSO suite of electronic-structure simulation codes.
description: A set of tools for the Quantum ESPRESSO suite of electronic-structure
simulation codes.
subject:
- atomistic simulation
- electronic structure calculations
Expand All @@ -15,12 +16,13 @@ installation:
- method: pip
packages:
- qe-tools>=2.2
requires_python: ">=3.8"
requires_python: '>=3.8'
citations:
- uri: doi:10.1088/0953-8984/21/39/395502
creators:
- P. Giannozzi
title: "QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials"
title: 'QUANTUM ESPRESSO: a modular and open-source software project for quantum
simulations of materials'
type: article
- uri: https://github.com/aiidateam/qe-tools
creators:
Expand All @@ -31,10 +33,10 @@ supported_filetypes:
- id: qe-pw-in
description: An input file for the Quantum ESPRESSO PW package
template:
input_type: PW
input_type: PW
- id: qe-cp-in
description: An input file for the Quantum ESPRESSO CP package
template:
input_type: CP
input_type: CP
license:
spdx: GPL2
4 changes: 2 additions & 2 deletions yard/data/extractors/rosettasciio.yml
Original file line number Diff line number Diff line change
Expand Up @@ -28,8 +28,8 @@ citations:
title: HyperSpy
type: software
creators:
- Francisco de la Peñare
- et al.
- Francisco de la Peñare
- et al.
source_repository: https://github.com/hyperspy/rosettasciio
documentation: https://hyperspy.org/rosettasciio
usage:
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2 changes: 1 addition & 1 deletion yard/data/extractors/zeiss-tiff-meta.yml
Original file line number Diff line number Diff line change
Expand Up @@ -18,7 +18,7 @@ citations:
- uri: https://github.com/ks00x/zeiss_tiff_meta
creators:
- K. Schwarzburg
title: 'zeiss_tiff_meta github repository'
title: zeiss_tiff_meta github repository
type: software
usage:
- method: python
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1 change: 0 additions & 1 deletion yard/data/filetypes/biologic-mpr.yml
Original file line number Diff line number Diff line change
Expand Up @@ -40,4 +40,3 @@ associated_instruments:
- BioLogic VMP-300
associated_software:
- BioLogic EC-Lab

4 changes: 2 additions & 2 deletions yard/data/filetypes/diffrac-eva-xy.yml
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,8 @@ id: >-
name: >-
DIFFRAC.EVA XY export
description: >-
A plain text data file exported by Bruker's DIFFRAC.EVA software, containing a diffraction pattern,
A plain text data file exported by Bruker's DIFFRAC.EVA software, containing a
diffraction pattern,
optional uncertaintities, and a header with some generic metadata about the experiment.
associated_file_extensions:
- xy
Expand All @@ -15,4 +16,3 @@ subject:
- diffraction
associated_software:
- Bruker EVA.DIFFRAC

9 changes: 4 additions & 5 deletions yard/data/filetypes/neware-nda.yml
Original file line number Diff line number Diff line change
Expand Up @@ -4,13 +4,13 @@ id: >-
name: >-
Neware NDA
description: >-
A binary data file used by Neware cyclers. At least two different versions
A binary data file used by Neware cyclers. At least two different versions
exist, one with the `.nda` file extension, the other with `.ndax`.
From the Neware website: "NDA file is a kind of structured data file.
This kind of file stores testing data and other information including
From the Neware website: "NDA file is a kind of structured data file.
This kind of file stores testing data and other information including
steps once you scheduled and log during testing."
associated_file_extensions:
- nda
- nda
- ndax
associated_vendors:
- Neware
Expand All @@ -23,4 +23,3 @@ associated_instruments:
- CT-4000 series
associated_software:
- Neware BTSDA

3 changes: 2 additions & 1 deletion yard/data/filetypes/qe-cp-in.yml
Original file line number Diff line number Diff line change
@@ -1,7 +1,8 @@
---
id: qe-cp-in
name: QE CP input file
description: An input file for Quantum ESPRESSO's Car-Parrinello (CP) ab-initio molecular dynamics package.
description: An input file for Quantum ESPRESSO's Car-Parrinello (CP) ab-initio molecular
dynamics package.
associated_file_extensions:
- in
subject:
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3 changes: 2 additions & 1 deletion yard/data/filetypes/rigaku-rasx.yml
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,8 @@ id: >-
name: >-
Rigaku .rasx file
description: >-
A ZIP file, containing nested folders storing PXRD patterns in plain text, with measurement
A ZIP file, containing nested folders storing PXRD patterns in plain text, with
measurement
metadata as XML.
associated_file_extensions:
- rasx
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