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Milestone due date
Added a missing spin-index.
!219
· created
May 10, 2018
by
Shunsuke A. Sato
8.0
develop
Merged
updated
May 14, 2018
Fixed wrong return in submesh routines.
!218
· created
May 05, 2018
by
Shunsuke A. Sato
8.0
develop
Merged
updated
May 08, 2018
Fix infrared util
!216
· created
May 01, 2018
by
Johannes Flick
8.0
develop
Merged
updated
May 02, 2018
We do not need to call hamiltonian_update after calling v_ks_calc, as v_ks_calc_finish…
!214
· created
Apr 30, 2018
by
Nicolas Tancogne-Dejean
8.0
develop
Merged
updated
May 01, 2018
Using blas for HGH pseudopotentials. This improves the performances, especially for SOC.
!212
· created
Apr 27, 2018
by
Nicolas Tancogne-Dejean
8.0
develop
Merged
2
updated
May 02, 2018
Fix GSL exception
!210
· created
Apr 25, 2018
by
Xavier Andrade
8.0
develop
Merged
updated
Apr 27, 2018
Removing the file band-gp.dat and bands-e_fermi.dat which were not used, and…
!209
· created
Apr 24, 2018
by
Nicolas Tancogne-Dejean
8.0
develop
Merged
updated
Apr 27, 2018
Bugfix: the volume element was not computed correctly for nonorthogonal cells.
!208
· created
Apr 23, 2018
by
Nicolas Tancogne-Dejean
8.0
develop
Merged
updated
Apr 25, 2018
Fortran 2003 interface for spglib
!207
· created
Apr 23, 2018
by
Micael Oliveira
8.0
develop
External libraries
Merged
updated
Apr 23, 2018
Avoid printing stars when a species as more than 9 electrons.
!205
· created
Apr 13, 2018
by
Nicolas Tancogne-Dejean
8.0
develop
Merged
updated
Apr 23, 2018
Improved unbound states detection
!204
· created
Apr 13, 2018
by
Micael Oliveira
8.0
develop
Merged
updated
Apr 13, 2018
Some changes and fixes for the new pseudopotential code
!203
· created
Apr 12, 2018
by
Xavier Andrade
8.0
develop
Merged
updated
Apr 27, 2018
Bug fix: pcm%kick_like must always be initialized, as it accessed outside the…
!202
· created
Apr 12, 2018
by
Micael Oliveira
8.0
develop
Merged
updated
Apr 12, 2018
Fix np_part to np.
!201
· created
Apr 12, 2018
by
Nicolas Tancogne-Dejean
8.0
develop
Merged
updated
Apr 23, 2018
Update tolerance for test.
!200
· created
Apr 12, 2018
by
Micael Oliveira
8.0
develop
Testsuite
Merged
updated
Apr 12, 2018
Update tolerances for several tests.
!199
· created
Apr 11, 2018
by
Micael Oliveira
8.0
develop
Testsuite
Merged
updated
Apr 11, 2018
C++ fixes
!198
· created
Apr 07, 2018
by
Xavier Andrade
8.0
develop
Merged
updated
Apr 23, 2018
Moving the calculation of the dos to a separate file.
!197
· created
Apr 05, 2018
by
Nicolas Tancogne-Dejean
8.0
develop
Merged
updated
Apr 05, 2018
Updated list of functionals
!195
· created
Apr 05, 2018
by
Xavier Andrade
8.0
develop
Merged
updated
Apr 05, 2018
Adding routines to deal with atomic orbitals. For the moment this is not yet fully used.
!194
· created
Apr 02, 2018
by
Nicolas Tancogne-Dejean
8.0
develop
Merged
1
updated
Apr 05, 2018
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