quantum-espresso/D3
paulatto 0e4c9fc288 BUGFIX! last minute bugfix for 4.3 version, the D3 code won't compile otherwise!
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7633 c92efa57-630b-4861-b058-cf58834340f0
2011-03-29 09:08:33 +00:00
..
Makefile All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +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 merge of grid dimensions: 2010-10-26 08:28:22 +00:00
d2mxc.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
d3_exc.f90 More merge of grid dimensions: 2010-10-26 08:28:22 +00:00
d3_init.f90 More merge of grid dimensions: 2010-10-26 08:28:22 +00:00
d3_readin.f90 temporary files in phonon calculations are saved in a directory _ph0/ instead of being saved in files starting with _ph0... 2010-11-10 14:24:07 +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 BUGFIX! last minute bugfix for 4.3 version, the D3 code won't compile otherwise! 2011-03-29 09:08:33 +00:00
d3_summary.f90 More merge of grid dimensions: 2010-10-26 08:28:22 +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 merge of grid dimensions: 2010-10-26 08:28:22 +00:00
d3ionq.f90 Some problem with d3 with pools. 2011-03-01 15:03:27 +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 More merge of grid dimensions: 2010-10-26 08:28:22 +00:00
davcio_drho2.f90 More merge of grid dimensions: 2010-10-26 08:28:22 +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 merge of grid dimensions: 2010-10-26 08:28:22 +00:00
dqrhod2v.f90 More merge of grid dimensions: 2010-10-26 08:28:22 +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 merge of grid dimensions: 2010-10-26 08:28:22 +00:00
drhod2v.f90 More merge of grid dimensions: 2010-10-26 08:28:22 +00:00
dvdpsi.f90 More variable unification: module gvecs and gsmooth merged (new name: gvecs), 2010-12-24 10:19:22 +00:00
dvscf.f90 More merge of grid dimensions: 2010-10-26 08:28:22 +00:00
gen_dpdvp.f90 More merge of grid dimensions: 2010-10-26 08:28:22 +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 Variable nrxxs removed from module gvect. Either the value in module 2010-10-24 08:05:12 +00:00
make.depend make.depend updated; fixed mpi initialization in (seldom-used) xctest.f90 2011-01-23 16:14:41 +00:00
openfild3.f90 temporary files in phonon calculations are saved in a directory _ph0/ instead of being saved in files starting with _ph0... 2010-11-10 14:24:07 +00:00
print_clock_d3.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
psymd0rho.f90 More merge of grid dimensions: 2010-10-26 08:28:22 +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 BUGFIX! last minute bugfix for 4.3 version, the D3 code won't compile otherwise! 2011-03-29 09:08:33 +00:00
set_efsh.f90 More merge of grid dimensions: 2010-10-26 08:28:22 +00:00
set_sym_irr.f90 More cft3/cft3 => fwfft/invfft 2010-08-29 17:28:28 +00:00
solve_linter_d3.f90 More merge of grid dimensions: 2010-10-26 08:28:22 +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