quantum-espresso/D3
giannozz a4cf0f888b Minor symmetry cleanup: S^{-1} moved to symmetry module and its usage
made uniform. It seems to work, but beware unintended side effects.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6282 c92efa57-630b-4861-b058-cf58834340f0
2010-01-09 15:21:34 +00:00
..
Makefile Merge of initial printout between CP and PW: CPV/environment.f90 moved 2009-11-06 17:28:19 +00:00
allocate_d3.f90 Parameter max_irr_dim removed from phonon and from d3. 2009-10-20 05:59:54 +00:00
allocate_pert_d3.f90 Parameter max_irr_dim removed from phonon and from d3. 2009-10-20 05:59:54 +00:00
bcast_d3_input.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
ch_psi_all2.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
close_open.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
d0rhod2v.f90 Bug fix: d3.x was not working in parallel since November 2004. At 2009-10-15 13:20:18 +00:00
d2mxc.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
d3_exc.f90 Bug fix: d3.x was not working anymore with pools. A possible solution. 2009-10-17 07:22:42 +00:00
d3_init.f90 Parameter max_irr_dim removed from phonon and from d3. 2009-10-20 05:59:54 +00:00
d3_readin.f90 Another small update due to previous commit. 2009-11-25 17:37:23 +00:00
d3_recover.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
d3_setup.f90 Minor symmetry cleanup: S^{-1} moved to symmetry module and its usage 2010-01-09 15:21:34 +00:00
d3_summary.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
d3_symdyn.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
d3_symdynph.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
d3_valence.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
d3com.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
d3dyn_cc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
d3ionq.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
d3matrix.f90 Minor symmetry cleanup: S^{-1} moved to symmetry module and its usage 2010-01-09 15:21:34 +00:00
d3toten.f90 variables ortho_para and use_task_group moved from control_flags to 2009-11-09 16:07:19 +00:00
d3vrho.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
davcio_drho2.f90 Bug fix: d3.x was not working anymore with pools. A possible solution. 2009-10-17 07:22:42 +00:00
dpsi_corr.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
dpsidpsidv.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
dpsidvdpsi.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
dqrhod2v.f90 Bug fix: d3.x was not working in parallel since November 2004. At 2009-10-15 13:20:18 +00:00
drho_cc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
drho_drc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
drhod2v.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
dvdpsi.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
dvscf.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
gen_dpdvp.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
gen_dwfc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
incdrhoscf2.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
make.depend More of the same 2009-11-08 11:49:26 +00:00
openfild3.f90 Another small update due to previous commit. 2009-11-25 17:37:23 +00:00
print_clock_d3.f90 - cleanup, poolreduce replaced by mp_sum 2008-01-23 23:39:08 +00:00
psymd0rho.f90 Parameter max_irr_dim removed from phonon and from d3. 2009-10-20 05:59:54 +00:00
qstar_d3.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
read_ef.f90 Bug fix: d3.x was not working anymore with pools. A possible solution. 2009-10-17 07:22:42 +00:00
rotate_and_add_d3.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
set_d3irr.f90 Minor symmetry cleanup: S^{-1} moved to symmetry module and its usage 2010-01-09 15:21:34 +00:00
set_efsh.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
set_sym_irr.f90 Parameter max_irr_dim removed from phonon and from d3. 2009-10-20 05:59:54 +00:00
solve_linter_d3.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
stop_d3.f90 iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used 2004-12-10 15:20:46 +00:00
sym_def1.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
symd0rho.f90 Parameter max_irr_dim removed from phonon and from d3. 2009-10-20 05:59:54 +00:00
trntnsc_3.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
w_1gauss.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
write_aux.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
write_d3dyn.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
write_igk.f90 - bug (alpha compiler) reported by Sergey has been fixed 2003-11-09 18:30:08 +00:00
writed3dyn_5.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00