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Makefile
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PW/src PW/tools compiling makedeps updated
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2011-12-14 17:33:33 +00:00 |
add_shift_cc.f90
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Forgotten in previous commit
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2010-10-26 08:29:11 +00:00 |
add_shift_lc.f90
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More cft/cft3s => fwfft/invfft conversion. May or may not work.
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2010-08-27 08:34:27 +00:00 |
add_shift_us.f90
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I forgot one directory in previous commit
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2010-12-22 21:45:34 +00:00 |
addusdens1d.f90
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- grid data structure merged with the fft data structure.
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2011-07-14 22:14:15 +00:00 |
atomic_wfc_nc_proj.f90
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More variable harmonization: ig1,ig2,ig3 => mill
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2010-12-05 13:07:09 +00:00 |
average.f90
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Cleanup: modules energies and printout_base moved to CPV where they are used.
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2011-08-03 19:16:03 +00:00 |
bands.f90
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There is no need (I think) to check for the number of processors when
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2011-10-09 08:37:51 +00:00 |
cft.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
cgracsc.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
chdens.f90
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Cleanup: modules energies and printout_base moved to CPV where they are used.
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2011-08-03 19:16:03 +00:00 |
compute_ppsi.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
compute_sigma_avg.f90
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- grid data structure merged with the fft data structure.
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2011-07-14 22:14:15 +00:00 |
cube.f90
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Harmonization of FFT grid variables with CP:
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2010-09-18 16:48:39 +00:00 |
d_matrix_nc.f90
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Variable cell_symmetry removed. There is still a problem with electric fields.
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2011-08-11 07:06:07 +00:00 |
d_matrix_so.f90
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Variable cell_symmetry removed. There is still a problem with electric fields.
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2011-08-11 07:06:07 +00:00 |
do_initial_state.f90
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More harmonization of conversion constants
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2011-11-26 08:42:55 +00:00 |
do_shift_ew.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
dos.f90
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open_input_file modified to automatically detect xml. There is no nedd
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2011-07-04 15:27:16 +00:00 |
dosg.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
elf.f90
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Minor cleanup in xml data file, minor pw-cp merge (calculation of number
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2011-02-17 21:27:28 +00:00 |
epsilon.f90
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open_input_file modified to automatically detect xml. There is no nedd
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2011-07-04 15:27:16 +00:00 |
ggen1d.f90
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- grid data structure merged with the fft data structure.
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2011-07-14 22:14:15 +00:00 |
initial_state.f90
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open_input_file modified to automatically detect xml. There is no nedd
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2011-07-04 15:27:16 +00:00 |
local_dos.f90
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More variable unification: module gvecs and gsmooth merged (new name: gvecs),
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2010-12-24 10:19:22 +00:00 |
local_dos1d.f90
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More variable unification: module gvecs and gsmooth merged (new name: gvecs),
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2010-12-24 10:19:22 +00:00 |
local_dos_mag.f90
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- grid data structure merged with the fft data structure.
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2011-07-14 22:14:15 +00:00 |
make.depend
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PW/src PW/tools compiling makedeps updated
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2011-12-14 17:33:33 +00:00 |
openfil_pp.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
paw_postproc.f90
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Forgotten in previous commit
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2010-10-26 08:29:11 +00:00 |
pawplot.f90
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open_input_file modified to automatically detect xml. There is no nedd
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2011-07-04 15:27:16 +00:00 |
plan_avg.f90
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Cleanup: modules energies and printout_base moved to CPV where they are used.
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2011-08-03 19:16:03 +00:00 |
plot_whole_cell.f90
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Harmonization of FFT grid variables with CP:
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2010-09-18 16:48:39 +00:00 |
plotband.f90
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Lines of zero length are allowed when giving the input of k or q points
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2011-04-29 08:08:07 +00:00 |
plotproj.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
plotrho.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
poormanwannier.f90
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open_input_file modified to automatically detect xml. There is no nedd
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2011-07-04 15:27:16 +00:00 |
postproc.f90
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More harmonization of conversion constants
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2011-11-26 08:42:55 +00:00 |
projwfc.f90
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- BUG FIX: memory leakage in gamma point simulation
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2011-11-04 16:51:07 +00:00 |
punch_plot.f90
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Cleanup: modules energies and printout_base moved to CPV where they are used.
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2011-08-03 19:16:03 +00:00 |
pw2gw.f90
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mistake in allocate/deallocate for vec_tab_d2y in pw2gw.f90
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2011-10-28 15:12:46 +00:00 |
pw2wannier90.f90
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Cleanup: there is no point in having the interface to W90 split into two
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2011-08-04 08:37:03 +00:00 |
pw_export.f90
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- grid data structure merged with the fft data structure.
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2011-07-14 22:14:15 +00:00 |
qexml.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
qexml_example.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
smallgk.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
spinsym.f90
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Variable cell_symmetry removed. There is still a problem with electric fields.
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2011-08-11 07:06:07 +00:00 |
stm.f90
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I forgot one directory in previous commit
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2010-12-22 21:45:34 +00:00 |
stop_pp.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
sumpdos.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
sym_band.f90
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- grid data structure merged with the fft data structure.
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2011-07-14 22:14:15 +00:00 |
wannier_ham.f90
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open_input_file modified to automatically detect xml. There is no nedd
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2011-07-04 15:27:16 +00:00 |
wannier_hamiltonians.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
wannier_plot.f90
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- grid data structure merged with the fft data structure.
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2011-07-14 22:14:15 +00:00 |
wannier_u_matrix.f90
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Added k-resolved dos (GuidoF) + source "normalization"
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2010-06-14 13:45:31 +00:00 |
wannier_umatrix_subroutines.f90
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More harmonization of conversion constants
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2011-11-26 08:42:55 +00:00 |
wfdd.f90
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comment cleanup
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2010-08-20 06:59:34 +00:00 |
work_function.f90
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- grid data structure merged with the fft data structure.
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2011-07-14 22:14:15 +00:00 |
write_p_avg.f90
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I forgot one directory in previous commit
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2010-12-22 21:45:34 +00:00 |
xctest.f90
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make.depend updated; fixed mpi initialization in (seldom-used) xctest.f90
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2011-01-23 16:14:41 +00:00 |
xsf.f90
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Harmonization of FFT grid variables with CP:
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2010-09-18 16:48:39 +00:00 |