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Created date
Fortran 2003 interface for spglib
!207
· created
Apr 23, 2018
by
Micael Oliveira
8.0
develop
External libraries
Merged
updated
Apr 23, 2018
DFT+U
!206
· created
Apr 19, 2018
by
Nicolas Tancogne-Dejean
develop
Closed
0 of 1 Approvals
updated
May 16, 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
A more advanced managment of pseudopotential sets
!196
· created
Apr 05, 2018
by
Xavier Andrade
9.0
develop
Merged
updated
Jul 10, 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
Bugfix: GuessMagneticDensity was not working for the cae mx=0, my<0, due to a…
!193
· created
Apr 02, 2018
by
Nicolas Tancogne-Dejean
8.0
develop
Merged
updated
Apr 04, 2018
Adding an assert to prevent a misuse of the routine.
!192
· created
Apr 02, 2018
by
Nicolas Tancogne-Dejean
develop
Closed
0 of 1 Approvals
updated
Apr 02, 2018
Making compilers happy
!191
· created
Apr 02, 2018
by
Nicolas Tancogne-Dejean
8.0
develop
Merged
updated
Apr 04, 2018
Use the C++ implementation of the element class
!190
· created
Mar 31, 2018
by
Xavier Andrade
8.0
develop
Merged
updated
Apr 05, 2018
Cheby
!189
· created
Mar 30, 2018
by
Nicolas Tancogne-Dejean
8.0
develop
Merged
updated
Apr 04, 2018
Exchanging the order of the loop to improve performances.
!188
· created
Mar 30, 2018
by
Nicolas Tancogne-Dejean
8.0
develop
Merged
updated
Apr 04, 2018
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