quantum-espresso/PP
marsamos 59d6818a9b PW/src PW/tools compiling makedeps updated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8335 c92efa57-630b-4861-b058-cf58834340f0
2011-12-14 17:33:33 +00:00
..
Makefile PW/src PW/tools compiling makedeps updated 2011-12-14 17:33:33 +00:00
add_shift_cc.f90 Forgotten in previous commit 2010-10-26 08:29:11 +00:00
add_shift_lc.f90 More cft/cft3s => fwfft/invfft conversion. May or may not work. 2010-08-27 08:34:27 +00:00
add_shift_us.f90 I forgot one directory in previous commit 2010-12-22 21:45:34 +00:00
addusdens1d.f90 - grid data structure merged with the fft data structure. 2011-07-14 22:14:15 +00:00
atomic_wfc_nc_proj.f90 More variable harmonization: ig1,ig2,ig3 => mill 2010-12-05 13:07:09 +00:00
average.f90 Cleanup: modules energies and printout_base moved to CPV where they are used. 2011-08-03 19:16:03 +00:00
bands.f90 There is no need (I think) to check for the number of processors when 2011-10-09 08:37:51 +00:00
cft.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
cgracsc.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
chdens.f90 Cleanup: modules energies and printout_base moved to CPV where they are used. 2011-08-03 19:16:03 +00:00
compute_ppsi.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
compute_sigma_avg.f90 - grid data structure merged with the fft data structure. 2011-07-14 22:14:15 +00:00
cube.f90 Harmonization of FFT grid variables with CP: 2010-09-18 16:48:39 +00:00
d_matrix_nc.f90 Variable cell_symmetry removed. There is still a problem with electric fields. 2011-08-11 07:06:07 +00:00
d_matrix_so.f90 Variable cell_symmetry removed. There is still a problem with electric fields. 2011-08-11 07:06:07 +00:00
do_initial_state.f90 More harmonization of conversion constants 2011-11-26 08:42:55 +00:00
do_shift_ew.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
dos.f90 open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
dosg.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
elf.f90 Minor cleanup in xml data file, minor pw-cp merge (calculation of number 2011-02-17 21:27:28 +00:00
epsilon.f90 open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
ggen1d.f90 - grid data structure merged with the fft data structure. 2011-07-14 22:14:15 +00:00
initial_state.f90 open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
local_dos.f90 More variable unification: module gvecs and gsmooth merged (new name: gvecs), 2010-12-24 10:19:22 +00:00
local_dos1d.f90 More variable unification: module gvecs and gsmooth merged (new name: gvecs), 2010-12-24 10:19:22 +00:00
local_dos_mag.f90 - grid data structure merged with the fft data structure. 2011-07-14 22:14:15 +00:00
make.depend PW/src PW/tools compiling makedeps updated 2011-12-14 17:33:33 +00:00
openfil_pp.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
paw_postproc.f90 Forgotten in previous commit 2010-10-26 08:29:11 +00:00
pawplot.f90 open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
plan_avg.f90 Cleanup: modules energies and printout_base moved to CPV where they are used. 2011-08-03 19:16:03 +00:00
plot_whole_cell.f90 Harmonization of FFT grid variables with CP: 2010-09-18 16:48:39 +00:00
plotband.f90 Lines of zero length are allowed when giving the input of k or q points 2011-04-29 08:08:07 +00:00
plotproj.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
plotrho.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
poormanwannier.f90 open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
postproc.f90 More harmonization of conversion constants 2011-11-26 08:42:55 +00:00
projwfc.f90 - BUG FIX: memory leakage in gamma point simulation 2011-11-04 16:51:07 +00:00
punch_plot.f90 Cleanup: modules energies and printout_base moved to CPV where they are used. 2011-08-03 19:16:03 +00:00
pw2gw.f90 mistake in allocate/deallocate for vec_tab_d2y in pw2gw.f90 2011-10-28 15:12:46 +00:00
pw2wannier90.f90 Cleanup: there is no point in having the interface to W90 split into two 2011-08-04 08:37:03 +00:00
pw_export.f90 - grid data structure merged with the fft data structure. 2011-07-14 22:14:15 +00:00
qexml.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
qexml_example.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
smallgk.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
spinsym.f90 Variable cell_symmetry removed. There is still a problem with electric fields. 2011-08-11 07:06:07 +00:00
stm.f90 I forgot one directory in previous commit 2010-12-22 21:45:34 +00:00
stop_pp.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
sumpdos.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
sym_band.f90 - grid data structure merged with the fft data structure. 2011-07-14 22:14:15 +00:00
wannier_ham.f90 open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
wannier_hamiltonians.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
wannier_plot.f90 - grid data structure merged with the fft data structure. 2011-07-14 22:14:15 +00:00
wannier_u_matrix.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
wannier_umatrix_subroutines.f90 More harmonization of conversion constants 2011-11-26 08:42:55 +00:00
wfdd.f90 comment cleanup 2010-08-20 06:59:34 +00:00
work_function.f90 - grid data structure merged with the fft data structure. 2011-07-14 22:14:15 +00:00
write_p_avg.f90 I forgot one directory in previous commit 2010-12-22 21:45:34 +00:00
xctest.f90 make.depend updated; fixed mpi initialization in (seldom-used) xctest.f90 2011-01-23 16:14:41 +00:00
xsf.f90 Harmonization of FFT grid variables with CP: 2010-09-18 16:48:39 +00:00