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oct-14-with-force-correction
3a4143ca
·
add input block for removal of CoM motion
·
Apr 03, 2025
oct-14-with-layerpcm
2b66d29d
·
add reconfiguration to configure script
·
Mar 23, 2025
main
default
protected
c0e8a7c0
·
Merge branch 'minor_fixes2' into 'main'
·
Mar 21, 2025
layer_pcm
9991920b
·
Resolved merge conflict in pcm.F90
·
Mar 20, 2025
remove_accel_sync
1e4677c8
·
Make sure the nrm2 uses the correct streams
·
Apr 16, 2024
workaround_ifx
19572823
·
Workaround for compiling with ifx
·
Apr 16, 2024
fix_mgga_energy_gpu
b6502c1d
·
Bugfix: vtau was not copied to the GPU before computing Int[n vxc].
·
Apr 16, 2024
hotfix-14.1
eb9256d9
·
Merge branch 'fix_tdfreeze_orbitals_dipole' into 'hotfix-14.1'
·
Apr 16, 2024
refactor_force_local_potential
17906270
·
Adjust the references following the introduction of the cutoff energy in the 3D-2D FFT kernel.
·
Apr 16, 2024
output_jdos
42d5c2c1
·
Adding the output of the joint density of state.
·
Apr 16, 2024
tutorial_inversion_and_fixes
6a226486
·
Make a more general version of the staggered grid for the spline_der2 routine.
·
Apr 16, 2024
cleaning_kdotp
46c30a90
·
Small cleaning and batchification of the kdotp code.
·
Apr 16, 2024
fix_verrou
314a50c3
·
Some minor adjustments and some extra fixes.
·
Apr 16, 2024
tutorial_transient_absorption
dae847ea
·
Adding the gnuplot script as expandable item in the transient absorption tutorial.
·
Apr 16, 2024
lcao_orb_dependent_spin
f1dbe110
·
The previous commit was problematic for mGGAs. Here this solved by setting the...
·
Apr 15, 2024
stress/dft_u
0043f87f
·
Minor fixes that prevent a segfault with Ifort.
·
Apr 15, 2024
lattice_relaxation
9fa6e939
·
Minor improvements following Micael's comments.
·
Apr 15, 2024
pseudo_as_classes
8f863cdf
·
More changes following Martin's comments.
·
Apr 15, 2024
fix_gpu
a08e8c33
·
Fix initialization in warp reduction
·
Apr 15, 2024
588-is-it-possible-to-convert-type-in-f2018-standard-to-codes-in-f2008
be9c6ba9
·
Convert F2018 type(*) to pointers
·
Apr 15, 2024
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