..
Makefile
Misplaced routines re-placed, Makefiles updated:
2009-09-04 13:40:13 +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
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
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
Added a simple restart mechanism for transmission calculations. The partial transmission for each scattering energy and k-point will be saved in a dedicated directory (by specifying tran_prefix), and a run can be then restated using the recover flag. Added also the possibility to stop a job smoothly using the max_seconds variable from the check_stop module.
2008-11-25 12:53:58 +00:00
do_cond.f90
End of this set of not-so-fundamental changes. Summary:
2009-08-03 09:19:02 +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
End of this set of not-so-fundamental changes. Summary:
2009-08-03 09:19:02 +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
Minor partial cleanup. Many routines declared unused variables. Many others
2009-02-25 15:58:53 +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
End of this set of not-so-fundamental changes. Summary:
2009-08-03 09:19:02 +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
End of this set of not-so-fundamental changes. Summary:
2009-08-03 09:19:02 +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
End of this set of not-so-fundamental changes. Summary:
2009-08-03 09:19:02 +00:00
a13cd1f18b