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quantum-espresso/D3
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giannozz 30cf9263f9 D3 wasn't honoring the "-inp" directive. Moreover the error management 
during input reading wasn't done properly: error messages produced on the
process that reads must be first broadcast, then checked. Please verify.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7098 c92efa57-630b-4861-b058-cf58834340f0
 		2010-09-25 13:53:13 +00:00
..
Makefile All makefiles simplified, make.depend updated, fixed an inconsistency in 2010-02-09 15:21:51 +00:00
allocate_d3.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
allocate_pert_d3.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +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 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
close_open.f90 diropn moved from PW/ into module io_files (where it belongs). davcio also 2010-06-13 11:29:12 +00:00
d0rhod2v.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
d2mxc.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
d3_exc.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
d3_init.f90 Harmonization of FFT grid variables with CP: 2010-09-18 16:48:39 +00:00
d3_readin.f90 D3 wasn't honoring the "-inp" directive. Moreover the error management 2010-09-25 13:53:13 +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 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
d3_summary.f90 More symmetry cleanup: symmetries in cartesian axis are calculated once 2010-02-18 14:47:03 +00:00
d3_symdyn.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
d3_symdynph.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
d3_valence.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
d3com.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
d3dyn_cc.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
d3ionq.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
d3matrix.f90 Added a check that the q point mesh generated by phonon is compatible with 2010-08-22 22:35:36 +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 Forgot to update GIPAW in previous commits, plus minor things (removal of 2010-08-31 13:13:51 +00:00
davcio_drho2.f90 Harmonization of FFT grid variables with CP: 2010-09-18 16:48:39 +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 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
dpsidvdpsi.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
dqrhod2v.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +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 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
drhod2v.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
dvdpsi.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
dvscf.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
gen_dpdvp.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +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 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
make.depend Forgot to update GIPAW in previous commits, plus minor things (removal of 2010-08-31 13:13:51 +00:00
openfild3.f90 Harmonization of FFT grid variables with CP: 2010-09-18 16:48:39 +00:00
print_clock_d3.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
psymd0rho.f90 Harmonization of FFT grid variables with CP: 2010-09-18 16:48:39 +00:00
qstar_d3.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +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 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
set_efsh.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
set_sym_irr.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
solve_linter_d3.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
stop_d3.f90 programs started with mp_global_start should end with mp_global_end. Not a 2010-02-25 20:03:07 +00:00
sym_def1.f90 Fermi energy shift was not symmetrized enough 2010-05-12 08:39:47 +00:00
symd0rho.f90 Harmonization of FFT grid variables with CP: 2010-09-18 16:48:39 +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 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00