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Makefile
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Missing object prevented linking of bands.
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2008-01-24 10:23:24 +00:00 |
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add_shift_cc.f90
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Cleanup of wavefunction initialization. Since I wasted two hours hunting
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2007-11-22 14:23:04 +00:00 |
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add_shift_lc.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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add_shift_us.f90
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- celanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:10:45 +00:00 |
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addusdens1d.f90
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tvanp --> upf%tvanp.
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2007-11-20 08:27:33 +00:00 |
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atomic_wfc_nc_proj.f90
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Small change in the initial comment.
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2007-11-08 09:56:28 +00:00 |
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average.f90
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scf_mod again..
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2007-11-01 11:19:31 +00:00 |
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bands.f90
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Bands.x can now write on file the bands without changing their order.
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2008-02-02 14:12:13 +00:00 |
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cft.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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cgracsc.f90
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tvanp --> upf%tvanp.
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2007-11-20 08:27:33 +00:00 |
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chdens.f90
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- scatter/gather like subroutines that act on fft grids,
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2008-01-08 09:19:31 +00:00 |
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compute_ppsi.f90
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More <beta|psi> cleanup
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2007-12-06 10:07:30 +00:00 |
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compute_sigma_avg.f90
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- removing modules: pfft pffts para_const
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2008-01-05 19:27:35 +00:00 |
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cube.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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cubicspinsym.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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d_matrix_nc.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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d_matrix_so.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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dipole.f90
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- removing modules: pfft pffts para_const
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2008-01-05 19:27:35 +00:00 |
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do_initial_state.f90
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Cleanup of wavefunction initialization. Since I wasted two hours hunting
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2007-11-22 14:23:04 +00:00 |
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do_shift_ew.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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dos.f90
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Handling of input errors in all postprocessing codes was incorrect in
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2007-10-15 16:33:28 +00:00 |
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dosg.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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elf.f90
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- celanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:10:45 +00:00 |
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epsilon.f90
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- celanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:10:45 +00:00 |
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ggen1d.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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hexspinsym.f90
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Projwfc generalized to noncollinear and spin-orbit cases (still experimental).
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2006-01-20 14:28:51 +00:00 |
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initial_state.f90
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Handling of input errors in all postprocessing codes was incorrect in
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2007-10-15 16:33:28 +00:00 |
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local_dos.f90
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- celanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:10:45 +00:00 |
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local_dos1d.f90
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tvanp --> upf%tvanp.
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2007-11-20 08:27:33 +00:00 |
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local_dos_mag.f90
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More <beta|psi> cleanup
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2007-12-06 10:07:30 +00:00 |
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make.depend
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HWF energy + PAW should work again, better initial becsum.
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2008-02-07 13:48:46 +00:00 |
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openfil_pp.f90
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Incorrect call fixed (courtesy of Javad)
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2007-02-14 17:02:32 +00:00 |
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plan_avg.f90
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Cleanup. init_us_1 and newd are now called by read_file.
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2008-01-02 14:53:49 +00:00 |
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plot_io.f90
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Calculation of planar averages of wavefunctions moved out of pp.x
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2006-01-19 17:59:10 +00:00 |
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plot_whole_cell.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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plotband.f90
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1) added compilation of epsilon.x by default. Maybe we should consider as
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2007-12-14 10:36:37 +00:00 |
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plotproj.f90
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1) added compilation of epsilon.x by default. Maybe we should consider as
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2007-12-14 10:36:37 +00:00 |
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plotrho.f90
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1) added compilation of epsilon.x by default. Maybe we should consider as
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2007-12-14 10:36:37 +00:00 |
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poormanwannier.f90
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More <beta|psi> cleanup
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2007-12-06 10:07:30 +00:00 |
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postproc.f90
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Cleanup. init_us_1 and newd are now called by read_file.
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2008-01-02 14:53:49 +00:00 |
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projwfc.f90
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Bug fix: incompatibility with the new calbec.
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2008-02-08 10:28:40 +00:00 |
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punch_plot.f90
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- scatter/gather like subroutines that act on fft grids,
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2008-01-08 09:19:31 +00:00 |
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pw2casino.f90
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- celanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:10:45 +00:00 |
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pw2gw.f90
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Misc small changes for Alpha compilation warning, by G. Cantele
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2008-03-06 20:02:06 +00:00 |
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pw2wannier90.f90
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- scatter/gather like subroutines that act on fft grids,
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2008-01-08 09:19:31 +00:00 |
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pw_export.f90
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More <beta|psi> cleanup
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2007-12-06 10:07:30 +00:00 |
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qexml.f90
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There were some inconsistencies in the naimc convention (if any) of the
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2008-02-19 10:43:39 +00:00 |
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smallgk.f90
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Now bands.x can classify the bands according to the irreducible
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2006-08-22 17:01:13 +00:00 |
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start_postproc.f90
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Cleanup of wavefunction initialization. Since I wasted two hours hunting
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2007-11-22 14:23:04 +00:00 |
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stm.f90
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- celanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:10:45 +00:00 |
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stop_pp.f90
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iuwfc => iunwfc
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2004-12-07 08:25:16 +00:00 |
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sumpdos.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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sym_band.f90
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- scatter/gather like subroutines that act on fft grids,
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2008-01-08 09:19:31 +00:00 |
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voronoy.f90
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scf_mod again..
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2007-11-01 11:19:31 +00:00 |
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wfdd.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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work_function.f90
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- scatter/gather like subroutines that act on fft grids,
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2008-01-08 09:19:31 +00:00 |
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write_p_avg.f90
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More <beta|psi> cleanup
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2007-12-06 10:07:30 +00:00 |
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xctest.f90
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Modules/functionals.f90 modified.
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2005-11-02 15:42:06 +00:00 |
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xsf.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
4dc4266f0b