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Makefile
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The previous commit was missing a few pieces
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2010-02-12 06:24:06 +00:00 |
add_shift_cc.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
add_shift_lc.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
add_shift_us.f90
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Minor symmetry cleanup: routines symscalar, symvect moved into module symme.
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2010-01-10 13:22:09 +00:00 |
addusdens1d.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
atomic_wfc_nc_proj.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
average.f90
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variables ortho_para and use_task_group moved from control_flags to
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2009-11-09 16:07:19 +00:00 |
bands.f90
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uncorrect corrected to incorrect (correct?)
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2010-01-14 21:18:41 +00:00 |
cft.f90
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…
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cgracsc.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
chdens.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
compute_ppsi.f90
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In an attempt to unifying the management of becp-like variables in various cases
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2009-09-16 15:26:25 +00:00 |
compute_sigma_avg.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
cube.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
cubicspinsym.f90
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More symmetry cleanup (sort of). Symmetry-related variables, together with
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2010-02-12 20:57:55 +00:00 |
d_matrix_nc.f90
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More symmetry cleanup: symmetries in cartesian axis are calculated once
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2010-02-18 14:47:03 +00:00 |
d_matrix_so.f90
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More symmetry cleanup: symmetries in cartesian axis are calculated once
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2010-02-18 14:47:03 +00:00 |
dipole.f90
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Better (?) algorithm for G-space symmetrization
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2010-01-06 16:54:57 +00:00 |
do_initial_state.f90
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1) For TDDFPT purposes, subroutine newd does too many things at once, and accepts too few parameters.
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2010-01-27 18:50:07 +00:00 |
do_shift_ew.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
dos.f90
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variables ortho_para and use_task_group moved from control_flags to
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2009-11-09 16:07:19 +00:00 |
dosg.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
elf.f90
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Wrappers for real-space symmetrization removed. STM seems to work;
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2010-01-07 17:20:31 +00:00 |
epsilon.f90
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variables ortho_para and use_task_group moved from control_flags to
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2009-11-09 16:07:19 +00:00 |
ggen1d.f90
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…
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hexspinsym.f90
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More symmetry cleanup (sort of). Symmetry-related variables, together with
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2010-02-12 20:57:55 +00:00 |
initial_state.f90
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variables ortho_para and use_task_group moved from control_flags to
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2009-11-09 16:07:19 +00:00 |
local_dos.f90
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Wrappers for real-space symmetrization removed. STM seems to work;
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2010-01-07 17:20:31 +00:00 |
local_dos1d.f90
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In an attempt to unifying the management of becp-like variables in various cases
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2009-09-16 15:26:25 +00:00 |
local_dos_mag.f90
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This is the first part in my effort to merge TDDFPT with QE more tightly. I have eleminated disambigious
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2009-12-15 10:51:12 +00:00 |
make.depend
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More symmetry cleanup (sort of). Symmetry-related variables, together with
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2010-02-12 20:57:55 +00:00 |
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 |
paw_postproc.f90
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PAW charge density plot: a bug (i%l*2 instead of i%l**2) was causing
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2010-01-21 13:07:03 +00:00 |
pawplot.f90
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Added auxiliary program that plots the all-electron charges. Asymptotically I
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2010-02-05 17:10:50 +00:00 |
plan_avg.f90
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variables ortho_para and use_task_group moved from control_flags to
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2009-11-09 16:07:19 +00:00 |
plot_whole_cell.f90
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…
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plotband.f90
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x-value of first k point in the plot set to 0.
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2009-10-23 12:11:37 +00:00 |
plotproj.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
plotrho.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
poormanwannier.f90
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More symmetry cleanup (sort of). Symmetry-related variables, together with
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2010-02-12 20:57:55 +00:00 |
postproc.f90
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Added the possibility to plot the exchange and correlation magnetic field.
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2010-01-29 14:24:20 +00:00 |
projwfc.f90
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More symmetry cleanup (sort of). Symmetry-related variables, together with
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2010-02-12 20:57:55 +00:00 |
punch_plot.f90
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Added the possibility to plot the exchange and correlation magnetic field.
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2010-01-29 14:24:20 +00:00 |
pw2casino.f90
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pw2casino: Split of write_casino_pwfn to new file pw2casino_write.f90 (N. Nemec)
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2010-02-02 16:39:07 +00:00 |
pw2casino_write.f90
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fix indentation of pw2casino (N. Nemec)
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2010-02-09 15:16:47 +00:00 |
pw2gw.f90
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More symmetry cleanup (sort of). Symmetry-related variables, together with
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2010-02-12 20:57:55 +00:00 |
pw2wannier90.f90
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Some compilers don't like lines too long
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2010-01-31 16:33:17 +00:00 |
pw_export.f90
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More symmetry cleanup (sort of). Symmetry-related variables, together with
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2010-02-12 20:57:55 +00:00 |
qexml.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
qexml_example.f90
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The previous commit was missing a few pieces
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2010-02-12 06:24:06 +00:00 |
smallgk.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
stm.f90
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Wrappers for real-space symmetrization removed. STM seems to work;
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2010-01-07 17:20:31 +00:00 |
stop_pp.f90
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Last remains of T3E support removed
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2009-08-03 15:48:16 +00:00 |
sumpdos.f90
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Other routines with unused variables, and removed old unused routines.
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2009-02-25 16:51:30 +00:00 |
sym_band.f90
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More symmetry cleanup: symmetries in cartesian axis are calculated once
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2010-02-18 14:47:03 +00:00 |
wannier_ham.f90
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More symmetry cleanup (sort of). Symmetry-related variables, together with
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2010-02-12 20:57:55 +00:00 |
wannier_hamiltonians.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
wannier_plot.f90
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More symmetry cleanup (sort of). Symmetry-related variables, together with
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2010-02-12 20:57:55 +00:00 |
wannier_u_matrix.f90
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Tabulators replaced by white spaces (they confuse some compilers).
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2009-02-17 14:51:24 +00:00 |
wannier_umatrix_subroutines.f
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Ooops...
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2009-07-09 16:13:30 +00:00 |
wfdd.f90
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End of this set of not-so-fundamental changes. Summary:
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2009-08-03 09:19:02 +00:00 |
work_function.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
write_p_avg.f90
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uncorrect corrected to incorrect (correct?)
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2010-01-14 21:18:41 +00:00 |
xctest.f90
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More instances of nonstandard forms for "Quantum ESPRESSO"
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2010-01-18 13:46:16 +00:00 |
xsf.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |