.. |
Makefile
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additions to makefile files needed by the new DFT+DMFT part
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2009-02-12 08:09:57 +00:00 |
allocate_cond.f90
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Added the possibility to calculate and to plot left moving scattering states (A. Smogunov)
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2009-02-25 17:38:33 +00:00 |
bessj.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
compbs.f90
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Added the possibility to calculate and to plot left moving scattering states (A. Smogunov)
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2009-02-25 17:38:33 +00:00 |
compbs_2.f90
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Several arrays with zero dimension are not allocated in the free electrons
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2006-10-16 15:25:42 +00:00 |
cond_out.f90
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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)
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2008-11-10 10:12:55 +00:00 |
cond_restart.f90
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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.
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2008-11-25 12:53:58 +00:00 |
condcom.f90
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Added the possibility to calculate and to plot left moving scattering states (A. Smogunov)
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2009-02-25 17:38:33 +00:00 |
condmain.f90
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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.
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2008-11-25 12:53:58 +00:00 |
do_cond.f90
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Added the check on the number of allowed CPUs (A. Smogunov)
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2009-02-26 10:39:49 +00:00 |
eigenchnl.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
form_zk.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
four.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
free_mem.f90
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Added the possibility to calculate and plot the scattering states (A. Smogunov).
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2008-10-23 13:47:43 +00:00 |
gep_x.f90
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Cleanup of obsolete stuff
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2005-10-04 14:08:10 +00:00 |
gramsh.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
hev_ab.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
init_cond.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
init_gper.f90
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Added the possibility to calculate and plot the scattering states (A. Smogunov).
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2008-10-23 13:47:43 +00:00 |
init_orbitals.f90
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A bug with some array bounds fixed (A. Smogunov)
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2008-09-24 11:30:13 +00:00 |
integrals.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
jbloch.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
kbloch.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
local.f90
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Other routines with unused variables, and removed old unused routines.
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2009-02-25 16:51:30 +00:00 |
local_set.f90
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Modified the transmission code PWCOND so that now it works
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2005-01-28 17:10:20 +00:00 |
make.depend
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make.depend updated
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2008-12-02 12:38:23 +00:00 |
openfil_cond.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
poten.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
print_clock_pwcond.f90
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pwcond can now deal with spinor wavefunctions and with
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2004-11-01 09:26:40 +00:00 |
realus_scatt.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
rotproc.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
save_cond.f90
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Parameter nbrx (max number of beta functions) removed. Exceptions:
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2007-10-15 16:37:00 +00:00 |
scat_states_plot.f90
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Added the possibility to calculate and to plot left moving scattering states (A. Smogunov)
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2009-02-25 17:38:33 +00:00 |
scatter_forw.f90
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Added the possibility to calculate and plot the scattering states (A. Smogunov).
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2008-10-23 13:47:43 +00:00 |
summary_band.f90
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Corrected and slightly modified output of complex k vectors (A. Smogunov).
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2008-06-25 12:50:10 +00:00 |
summary_tran.f90
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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)
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2008-11-10 10:12:55 +00:00 |
sunitary.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
transmit.f90
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Slightly modified (simplified) the format of the output (A. Smogunov)
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2009-02-26 09:54:46 +00:00 |