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mikibonacci
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aiidalab-qe-vibroscopy
MIT License
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reducing the mesh in thermodynamic workchain
#82
AndresOrtegaGuerrero
opened
3 weeks ago
0
fixing bug dielectric workchain for 1D/2D systems
#81
AndresOrtegaGuerrero
closed
3 weeks ago
0
AiiDA Vibroscopy should be install as --user
#80
AndresOrtegaGuerrero
opened
1 month ago
2
Separate resources for PhononsWorkChain and DielectricWorkChain
#79
AndresOrtegaGuerrero
opened
1 month ago
0
Supercell size is not loaded
#78
AndresOrtegaGuerrero
opened
1 month ago
0
Moving all the app modules into the "app" folder.
#77
mikibonacci
closed
2 months ago
0
Update vibroworkchain.py by lowering the mesh
#76
mikibonacci
closed
2 months ago
0
Automatic installation codes
#75
mikibonacci
closed
1 month ago
1
Walltime fix
#74
AndresOrtegaGuerrero
closed
2 months ago
0
Walltime fix
#73
AndresOrtegaGuerrero
closed
2 months ago
1
Make release working with the qe-app last release + other improvements
#72
mikibonacci
opened
2 months ago
0
Adding Walltime specification
#71
AndresOrtegaGuerrero
closed
2 months ago
2
adding broadening widget control
#70
AndresOrtegaGuerrero
closed
2 months ago
0
INS fails with 1D system
#69
AndresOrtegaGuerrero
opened
2 months ago
1
symmetry tolerance 1e-3 for 1D
#68
AndresOrtegaGuerrero
closed
2 months ago
0
reducing mesh for pdos and thermo for cheaper simulations
#67
mikibonacci
closed
2 months ago
2
issue in installing phonopy via cmd
#66
mikibonacci
closed
2 weeks ago
1
Add also cm-1 to the units allowed in INS. also, allow change of units in phonon bands
#65
mikibonacci
opened
3 months ago
0
The downloaded data about plots should be txt, not json
#64
mikibonacci
opened
3 months ago
0
nice to have Features requested by user from exp
#63
mikibonacci
opened
3 months ago
0
Inelastic neutron scattering (INS) panel in results
#62
mikibonacci
closed
2 months ago
4
Overrides is not updated
#61
AndresOrtegaGuerrero
closed
2 months ago
7
Fix Tab Titles for IR/Raman
#60
AndresOrtegaGuerrero
closed
3 months ago
0
If no modes and extra tab without title is created
#59
AndresOrtegaGuerrero
closed
3 months ago
0
Fix Results visualization
#58
AndresOrtegaGuerrero
closed
3 months ago
0
'PhononBandPdosPlotly' object has no attribute '_create_combined_plot'
#57
superstar54
closed
3 months ago
0
find `phonopy` path automatically
#56
superstar54
closed
3 months ago
0
add `update_input` to `workchain_and_builder`
#55
superstar54
closed
3 months ago
0
No module named 'widget_bandsplot'
#54
superstar54
closed
3 months ago
2
removing unused Class, updating resources
#53
AndresOrtegaGuerrero
closed
4 months ago
3
Installation problem
#52
AndresOrtegaGuerrero
closed
1 month ago
1
VibroWorkChain run_phonopy logic modifications
#51
AndresOrtegaGuerrero
closed
6 months ago
0
Improve logic in WorkChain
#50
AndresOrtegaGuerrero
closed
6 months ago
1
Adding tabs for each property section of phonons.
#49
mikibonacci
closed
6 months ago
3
Animation of Phonons at Gamma
#48
AndresOrtegaGuerrero
closed
2 weeks ago
0
Phonon Pdos projections
#47
AndresOrtegaGuerrero
opened
6 months ago
2
Improvements on code readability (1): docstrings
#46
mikibonacci
opened
7 months ago
0
add filter for too low intensity modes.
#45
mikibonacci
closed
7 months ago
0
Improvements on results (7): display of dielectric quantities
#44
mikibonacci
closed
2 weeks ago
0
Discussion with Lorenzo
#43
mikibonacci
opened
7 months ago
0
Improve/logic
#42
mikibonacci
closed
6 months ago
0
Improvements on results (6): bands and dos widget
#41
mikibonacci
closed
6 months ago
0
Improvements on results (5): additional features for Neutron scattering
#40
mikibonacci
opened
7 months ago
0
Improvements on results (4): adding more quantities to plot
#39
mikibonacci
opened
7 months ago
0
Improvement on results (3): Raman and IR spectra parameters and polar plots
#38
mikibonacci
opened
7 months ago
0
Improvements on result (2): having a separated app for INS?
#37
mikibonacci
closed
2 weeks ago
1
Improvements on results (1): Phonopy versus Euphonic for phonon processing
#36
mikibonacci
closed
6 months ago
2
Improvements on workchain (1): changing the logic
#35
mikibonacci
closed
6 months ago
0
Improvements on settings (2): supercell hints and estimation of the number of supercells to be computed
#34
mikibonacci
opened
7 months ago
0
Improvements on the settings (1): choice of the properties
#33
mikibonacci
closed
6 months ago
0
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