lp:~alesster/siesta/trunk_new_xc
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Branch merges
- Siesta Maintainers: Pending requested
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Diff: 3150 lines (+2957/-16)7 files modifiedDocs/siesta.tex (+17/-0)
Src/SiestaXC/ggaxc.f (+270/-5)
Src/SiestaXC/vdwxc.F90 (+136/-6)
Src/SiestaXC/vv_vdwxc.F90 (+2517/-0)
Src/atom.F (+13/-2)
Tests/Makefile (+3/-2)
version.info (+1/-1)
Branch information
Recent revisions
- 782. By Aleksandr V. Terentjev
-
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modified:
Docs/siesta.tex
Src/SiestaXC/ggaxc.f
Src/SiestaXC/vdwxc.F90
Src/SiestaXC/vv_vdwxc. F90
Src/atom.F
Tests/Makefile
version.info
unknown:
Docs/branch- changes/ NOTES.trunk_ new_xc
Tests/ag_sg4/
Tests/graphite_ c6_sg4/
Tests/graphite_ vdw_pbesvvs/
Tests/graphite_ vdw_pbevv/
Tests/graphite_ vdw_sg4vv/
Tests/Reference/ ag_sg4. out
Tests/Reference/ graphite_ c6_sg4. out
Tests/Reference/ graphite_ vdw_pbesvvs. out
Tests/Reference/ graphite_ vdw_pbevv. out
Tests/Reference/ graphite_ vdw_sg4vv. out - 778. By Alberto Garcia
-
Fix misleading warning message about use of onsite-SO
Due to an oversight, a warning about the use of a local approximation
to spin-orbit coupling was printed even if the defaut (full SOC)
flavor was being used.
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