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giannozz da3f938442 More symmetry cleanup (sort of). Symmetry-related variables, together with 
routines that find the symmetry of a system, are in module symm_base;
module symme contains only routines for symmetrization of the various
quantities.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6403 c92efa57-630b-4861-b058-cf58834340f0
 		2010-02-12 20:57:55 +00:00
..
Makefile The previous commit was missing a few pieces 2010-02-12 06:24:06 +00:00
add_shift_cc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
add_shift_lc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
add_shift_us.f90 Minor symmetry cleanup: routines symscalar, symvect moved into module symme. 2010-01-10 13:22:09 +00:00
addusdens1d.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
atomic_wfc_nc_proj.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
average.f90 variables ortho_para and use_task_group moved from control_flags to 2009-11-09 16:07:19 +00:00
bands.f90 uncorrect corrected to incorrect (correct?) 2010-01-14 21:18:41 +00:00
cft.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
cgracsc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
chdens.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
compute_ppsi.f90 In an attempt to unifying the management of becp-like variables in various cases 2009-09-16 15:26:25 +00:00
compute_sigma_avg.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
cube.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
cubicspinsym.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
d_matrix_nc.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
d_matrix_so.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
dipole.f90 Better (?) algorithm for G-space symmetrization 2010-01-06 16:54:57 +00:00
do_initial_state.f90 1) For TDDFPT purposes, subroutine newd does too many things at once, and accepts too few parameters. 2010-01-27 18:50:07 +00:00
do_shift_ew.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
dos.f90 variables ortho_para and use_task_group moved from control_flags to 2009-11-09 16:07:19 +00:00
dosg.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
elf.f90 Wrappers for real-space symmetrization removed. STM seems to work; 2010-01-07 17:20:31 +00:00
epsilon.f90 variables ortho_para and use_task_group moved from control_flags to 2009-11-09 16:07:19 +00:00
ggen1d.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
hexspinsym.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
initial_state.f90 variables ortho_para and use_task_group moved from control_flags to 2009-11-09 16:07:19 +00:00
local_dos.f90 Wrappers for real-space symmetrization removed. STM seems to work; 2010-01-07 17:20:31 +00:00
local_dos1d.f90 In an attempt to unifying the management of becp-like variables in various cases 2009-09-16 15:26:25 +00:00
local_dos_mag.f90 This is the first part in my effort to merge TDDFPT with QE more tightly. I have eleminated disambigious 2009-12-15 10:51:12 +00:00
make.depend More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
openfil_pp.f90 Incorrect call fixed (courtesy of Javad) 2007-02-14 17:02:32 +00:00
paw_postproc.f90 PAW charge density plot: a bug (i%l*2 instead of i%l**2) was causing 2010-01-21 13:07:03 +00:00
pawplot.f90 Added auxiliary program that plots the all-electron charges. Asymptotically I 2010-02-05 17:10:50 +00:00
plan_avg.f90 variables ortho_para and use_task_group moved from control_flags to 2009-11-09 16:07:19 +00:00
plot_whole_cell.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
plotband.f90 x-value of first k point in the plot set to 0. 2009-10-23 12:11:37 +00:00
plotproj.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
plotrho.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
poormanwannier.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
postproc.f90 Added the possibility to plot the exchange and correlation magnetic field. 2010-01-29 14:24:20 +00:00
projwfc.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
punch_plot.f90 Added the possibility to plot the exchange and correlation magnetic field. 2010-01-29 14:24:20 +00:00
pw2casino.f90 pw2casino: Split of write_casino_pwfn to new file pw2casino_write.f90 (N. Nemec) 2010-02-02 16:39:07 +00:00
pw2casino_write.f90 fix indentation of pw2casino (N. Nemec) 2010-02-09 15:16:47 +00:00
pw2gw.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
pw2wannier90.f90 Some compilers don't like lines too long 2010-01-31 16:33:17 +00:00
pw_export.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
qexml.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
qexml_example.f90 The previous commit was missing a few pieces 2010-02-12 06:24:06 +00:00
smallgk.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
stm.f90 Wrappers for real-space symmetrization removed. STM seems to work; 2010-01-07 17:20:31 +00:00
stop_pp.f90 Last remains of T3E support removed 2009-08-03 15:48:16 +00:00
sumpdos.f90 Other routines with unused variables, and removed old unused routines. 2009-02-25 16:51:30 +00:00
sym_band.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
wannier_ham.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
wannier_hamiltonians.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
wannier_plot.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
wannier_u_matrix.f90 Tabulators replaced by white spaces (they confuse some compilers). 2009-02-17 14:51:24 +00:00
wannier_umatrix_subroutines.f Ooops... 2009-07-09 16:13:30 +00:00
wfdd.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
work_function.f90 Minor partial cleanup. Many routines declared unused variables. Many others 2009-02-25 15:58:53 +00:00
write_p_avg.f90 uncorrect corrected to incorrect (correct?) 2010-01-14 21:18:41 +00:00
xctest.f90 More instances of nonstandard forms for "Quantum ESPRESSO" 2010-01-18 13:46:16 +00:00
xsf.f90 Minor partial cleanup. Many routines declared unused variables. Many others 2009-02-25 15:58:53 +00:00