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quantum-espresso/PWCOND
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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 All makefiles simplified, make.depend updated, fixed an inconsistency in 2010-02-09 15:21:51 +00:00
allocate_cond.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
bessj.f90 Minor partial cleanup. Many routines declared unused variables. Many others 2009-02-25 15:58:53 +00:00
compbs.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
compbs_2.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
cond_out.f90 Bug fix in automatic generation of 2D k-points (A. Smogunov) 2010-02-12 11:47:42 +00:00
cond_restart.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
condcom.f90 Added the possibility to calculate and to plot left moving scattering states (A. Smogunov) 2009-02-25 17:38:33 +00:00
condmain.f90 More initialization cleanup: clock and stack initialization moved into 2009-11-08 10:11:24 +00:00
do_cond.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
eigenchnl.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
form_zk.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
four.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
free_mem.f90 Small fixes (removed useless line, deallocate unallocated array, fixing clocks). GS 2009-11-20 10:46:19 +00:00
gep_x.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
gramsh.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
hev_ab.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
init_cond.f90 Oops... forgot to remove debug line in previous commit. GS 2009-11-20 10:49:09 +00:00
init_gper.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
init_orbitals.f90 A bug with some array bounds fixed (A. Smogunov) 2008-09-24 11:30:13 +00:00
integrals.f90 Minor partial cleanup. Many routines declared unused variables. Many others 2009-02-25 15:58:53 +00:00
jbloch.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
kbloch.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
local.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
local_set.f90 Modified the transmission code PWCOND so that now it works 2005-01-28 17:10:20 +00:00
make.depend More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
openfil_cond.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
poten.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
print_clock_pwcond.f90 pwcond can now deal with spinor wavefunctions and with 2004-11-01 09:26:40 +00:00
realus_scatt.f90 Minor partial cleanup. Many routines declared unused variables. Many others 2009-02-25 15:58:53 +00:00
rotproc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
save_cond.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
scat_states_plot.f90 In an attempt to unifying the management of becp-like variables in various cases 2009-09-16 15:26:25 +00:00
scatter_forw.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
summary_band.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
summary_tran.f90 Added the possibility to do transmission calculation for a subset of points in the energy grid (using the new input variables start_e and last_e) and for a subset of k-points (using start_k and last_k). This enables to split the whole calculation into smaller pieces, suitable for usage on the GRID. (Gabriele Sclauzero) 2008-11-10 10:12:55 +00:00
sunitary.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
transmit.f90 BUG FIX: check of lspinorb flag consistency was assuming wrong precedence of .neqv. operator. 2009-09-07 10:30:34 +00:00