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440-implement-ehrenfest-ion-dynamics-coupled-to-dftb-2
01889374
·
Merge branch 'clean_use' into 'develop'
·
May 20, 2021
revised_multigrid
1febdc77
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Revisiting the multigrid routines to have an interpolation scheme that is the...
·
May 19, 2021
454-implement-born-oppenheimer-dynamics-with-absorbingboundaries-mask-2
527140bf
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Merge branch 'refactoring_hgh_pseudo' into 'develop'
·
May 11, 2021
449-make-maxwell-linear-media-a-separate-system-type-2
487e1d03
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Merge branch 'optim_dotpv_batch_spinors' into 'develop'
·
May 03, 2021
docu-included
906ccb03
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Merge branch 'develop' into docu-included
·
May 03, 2021
oct_tdtdm
a3708dbf
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Computing the offset without using lsize and using space%dim when possible.
·
Apr 28, 2021
poisson_fft_shells
4e1468f9
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Merge branch 'develop' into poisson_fft_shells
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Apr 27, 2021
448-implement-dispersive-materials-for-maxwell-linear-media
a9157072
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Merge branch 'more_geo_latt_refactor' into 'develop'
·
Apr 22, 2021
gs_photodoping
71ba66c6
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photodoping feature for groundstate
·
Apr 22, 2021
kli_electron_refactoring
57540f65
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Refactor the Slater part of the KLI code for electrons to improve readability and performances.
·
Apr 07, 2021
refactor_grid_generation
62df6594
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Add check for bounding box when counting mesh points
·
Mar 12, 2021
casida_restart_photons
010f03f8
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Add restart for Casida with photons
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Feb 25, 2021
440-implement-ehrenfest-ion-dynamics-coupled-to-dftb
5549c6a6
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Merge branch 'box_info' into 'develop'
·
Feb 15, 2021
fix_qmr_smearing
e469d199
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Fixes the QMR solver in the case of non-semiconducting smearing.
·
Feb 04, 2021
cg_improvements
db6b4198
·
Adapt exit criteria
·
Feb 04, 2021
kerker_preconditioner
33a9e8d1
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Add test for Kerker mixing preconditioner
·
Feb 02, 2021
field_spin_orbit
695d3f29
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Adding a new option for the spin-orbit coupling, which includes the...
·
Jan 28, 2021
lcao_orbital_dependent_functional
55cdec0e
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The orbital dependent potential should not be computed from the LCAO states,...
·
Jan 21, 2021
fix_cg_normalization
791253f9
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Adapt exit conditions of CG to make it faster
·
Jan 12, 2021
minor_optim
6cbfeaaa
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Optimization of the residue routine to avoid unnecessary operations.
·
Dec 18, 2020
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