.. |
Makefile
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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 |
add_shift_cc.f90
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error (..., -1) => infomsg
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2005-08-30 16:27:58 +00:00 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
do_initial_state.f90
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error (..., -1) => infomsg
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2005-08-30 16:27:58 +00:00 |
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 |
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 |
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 |
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 |
elf.f90
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error (..., -1) => infomsg
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2005-08-30 16:27:58 +00:00 |
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 |
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 |
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 |
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 |
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 |
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 |
plan_avg.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
plot_io.f90
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More tweaking with post-processing
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2005-09-14 12:48:59 +00:00 |
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 |
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 |
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 |
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 |
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 |
projwfc.f90
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projwfc.f90 sorting of projections modified (use hpsort_eps)
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2005-11-02 17:26:51 +00:00 |
punch_plot.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 |
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 |
pw2gw.f90
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Final small changes
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2005-11-17 08:27:33 +00:00 |
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 |
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 |
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 |
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 |
stm.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
stop_pp.f90
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iuwfc => iunwfc
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2004-12-07 08:25:16 +00:00 |
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 |
voronoy.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 |
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 |
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 |
xctest.f90
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Modules/functionals.f90 modified.
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2005-11-02 15:42:06 +00:00 |
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 |