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Makefile
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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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add_shift_cc.f90
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error (..., -1) => infomsg
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2005-08-30 16:27:58 +00:00 |
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add_shift_lc.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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add_shift_us.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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addusdens1d.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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atomic_wfc_nc_proj.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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average.f90
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Fixed problem with ibrav=0 in the chain ph.x -> q2r.x -> matdyn.x
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2005-12-02 14:51:57 +00:00 |
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bands.f90
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Bands.x calculates the expectation value of the spin operator on each
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2005-11-07 11:07:36 +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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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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chdens.f90
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Fixed problem with ibrav=0 in the chain ph.x -> q2r.x -> matdyn.x
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2005-12-02 14:51:57 +00:00 |
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compute_sigma_avg.f90
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Mixing of scalar relativistic and fully relativistic pseudopotentials in
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2006-01-03 15:08:13 +00:00 |
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cube.f90
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- xlf doesn't like the syntax used to initialise arrays of strings
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2005-09-15 15:28:53 +00:00 |
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cubicspinsym.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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d_matrix_nc.f90
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All functions used to generate random number collected in a single module. Added two routines
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2006-01-25 04:24:49 +00:00 |
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d_matrix_so.f90
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All functions used to generate random number collected in a single module. Added two routines
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2006-01-25 04:24:49 +00:00 |
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dipole.f90
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Fixed problem with ibrav=0 in the chain ph.x -> q2r.x -> matdyn.x
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2005-12-02 14:51:57 +00:00 |
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do_initial_state.f90
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error (..., -1) => infomsg
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2005-08-30 16:27:58 +00:00 |
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do_shift_ew.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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dos.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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dosg.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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efg.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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elf.f90
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error (..., -1) => infomsg
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2005-08-30 16:27:58 +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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Added copyright notice where missing (please check)
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2005-03-21 13:43:38 +00:00 |
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local_dos.f90
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Mixing of scalar relativistic and fully relativistic pseudopotentials in
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2006-01-03 15:08:13 +00:00 |
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local_dos1d.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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local_dos_mag.f90
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Added the possibility to plot the contribution of each orbital
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2006-01-03 15:26:21 +00:00 |
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openfil_pp.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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plan_avg.f90
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- bug fix, statement out of order
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2006-01-20 13:34:53 +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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g95 doesn't like any longer iargc to be defined external
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2005-06-22 10:08:02 +00:00 |
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plotrho.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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poormanwannier.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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postproc.f90
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Added the possibility to plot the contribution of each orbital
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2006-01-03 15:26:21 +00:00 |
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projwfc.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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punch_plot.f90
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- bug fix for parallel build
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2006-01-20 13:30:51 +00:00 |
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pw2casino.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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pw2gw.f90
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Final small changes
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2005-11-17 08:27:33 +00:00 |
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pw2wan.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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pw2wannier90.f90
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pw->wannier90 interface: guiding function phase factor fixed.
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2005-12-23 09:41:22 +00:00 |
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pw_export.f90
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List of g^2 was incorrect in parallel case
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2005-09-23 08:59:57 +00:00 |
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start_postproc.f90
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more init_pool calls removed (already contained in startup)
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2004-03-05 17:42:40 +00:00 |
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stm.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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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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Bug fix for spin-polarized case (Andrea Ferretti)
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2005-11-18 14:02:25 +00:00 |
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voronoy.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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wfdd.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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work_function.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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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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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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