lp:~nickpapior/siesta/kovalp-fixes
Created by
Nick Papior
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Diff: 3313 lines (+891/-546)21 files modifiedSrc/Makefile (+30/-40)
Src/elpa2_kernels.f90 (+3/-2)
Src/m_fastconv_dims.F90 (+1/-8)
Src/m_mpi_stop.F90 (+2/-5)
Src/m_plot_1d_arr3d.F90 (+1/-2)
Src/m_poisson_fdf.F90 (+8/-4)
Src/m_poisson_obc_comm.F90 (+4/-3)
Src/m_poisson_obc_fastconv.F90 (+10/-4)
Src/m_poisson_obc_fastconv_r2c.F90 (+5/-5)
Util/COOP/Makefile (+78/-44)
Util/Denchar/Src/Makefile (+78/-44)
Util/Gen-basis/Makefile (+76/-44)
Util/Grimme/Makefile (+76/-44)
Util/Helpers/Makefile (+76/-44)
Util/STM/ol-stm/Src/Makefile (+76/-44)
Util/SpPivot/Makefile (+76/-44)
Util/TS/TBtrans/Makefile (+62/-32)
Util/TS/ts2ts/Makefile (+76/-44)
Util/TS/tshs2tshs/Makefile (+76/-44)
Util/VCA/Makefile (+76/-44)
version.info (+1/-1)
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Branch information
Recent revisions
- 623. By Nick Papior
-
Fixes issues regarding the Poisson solver
- Remaining things to fix has been fixed.
1. ELPA2_kernel is as the original code now
2. Removal of unused variables
3. Limited the size of the PoissonMethod 32
characters should be more than enough!
4. Added check of the Poisson.Method
before actually doing anything.
5. Added deallocate statements, even though
the standard says that allocatables are
deallocated, it is good practice to do so explicitly.
Also, some older compilers did not do this which would
result in excess memory usage!
6. Fixed a forgotten long-integer precision.
7. Fixed casting of complex/real precision
Branch metadata
- Branch format:
- Branch format 6
- Repository format:
- Bazaar pack repository format 1 (needs bzr 0.92)
