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giannozz 52a8e4d3cf More symmetry cleanup: symmetries in cartesian axis are calculated once 
and for all and kept in symm_base module. I haven't noticed any side
effects, but beware.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6438 c92efa57-630b-4861-b058-cf58834340f0
 		2010-02-18 14:47:03 +00:00
..
Makefile All makefiles simplified, make.depend updated, fixed an inconsistency in 2010-02-09 15:21:51 +00:00
add_dkmds.f90 becp_type used more extensively in the phonon code. 2009-10-21 06:34:59 +00:00
add_for_charges.f90 Further cleanup using becp_type. 2009-10-20 13:46:17 +00:00
add_zstar_ue.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
add_zstar_ue_us.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
addcore.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
adddvepsi_us.f90 Small cleanup. 2009-10-23 04:58:50 +00:00
adddvscf.f90 Some cleanup due to the use of becp_type. 2009-10-20 12:50:28 +00:00
addnlcc.f90 Save memory in the nonmagnetic spin-orbit case. Some variables are 2009-10-23 11:11:36 +00:00
addnlcc_zstar_eu_us.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
addusdbec.f90 additional bec_type-related changes 2009-09-21 13:38:34 +00:00
addusdbec_nc.f90 additional bec_type-related changes 2009-09-21 13:38:34 +00:00
addusddens.f90 Further use of nspin_mag in array dimensions. 2009-10-23 13:22:05 +00:00
addusddense.f90 Further use of nspin_mag in array dimensions. 2009-10-23 13:22:05 +00:00
addusdynmat.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
addusldos.f90 Further use of nspin_mag in array dimensions. 2009-10-23 13:22:05 +00:00
allocate_part.f90 Minor cleanup of the phonon code (part 2). USE phcom and USE pwcom 2009-02-04 08:28:27 +00:00
allocate_pert.f90 Small change: Allocate and deallocate pert in the same file. 2009-11-23 07:56:31 +00:00
allocate_phq.f90 Further use of nspin_mag in array dimensions. 2009-10-23 13:22:05 +00:00
apply_dpot.f90 Save memory in the nonmagnetic spin-orbit case. Some variables are 2009-10-23 11:11:36 +00:00
bcast_ph_input.f90 Image parallelization of the phonon code. Some ideas on how to split 2009-11-25 16:38:16 +00:00
ccg_psi.f90 More cleanup from Axel: 2006-12-02 17:58:50 +00:00
cch_psi_all.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
cft_wave.f90 Minor partial cleanup. Many routines declared unused variables. Many others 2009-02-25 15:58:53 +00:00
cg_psi.f90 Phonon in the noncollinear and spin-orbit case. Routines with small changes. 2007-02-08 13:07:07 +00:00
cgsolve_all.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
cgsolve_all_imfreq.f90 removed inclusion of f_defs.h (should be removed) 2010-01-18 13:52:55 +00:00
ch_psi_all.f90 Some cleanup due to the use of becp_type. 2009-10-20 12:50:28 +00:00
check_initial_status.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
check_restart_recover.f90 Cleanup. 2009-11-13 17:14:12 +00:00
chi_test.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
clean_pw_ph.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
clinear.f90 Minor cleanup of the phonon code. USE phcom substituted with multiple USE statements 2009-02-02 10:52:58 +00:00
close_phq.f90 Bug fix: fildrho is opened by ionode but was closed by all processors with 2009-11-20 14:58:47 +00:00
compute_alphasum.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
compute_becalp.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
compute_becsum_ph.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
compute_drhous.f90 becp_type used more extensively in the phonon code. 2009-10-21 06:34:59 +00:00
compute_drhous_nc.f90 Save memory in the nonmagnetic spin-orbit case. Some variables are 2009-10-23 11:11:36 +00:00
compute_dvloc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
compute_nldyn.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
compute_vsgga.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
compute_weight.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
d2ionq.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
d2mxc.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
davcio_drho.f90 Phonon parallelization cleanup: Another bcast limited to its image. 2009-11-23 08:24:00 +00:00
deallocate_part.f90 Minor cleanup of the phonon code. USE phcom substituted with multiple USE statements 2009-02-02 10:52:58 +00:00
deallocate_phq.f90 Small cleanup. 2009-12-11 09:59:00 +00:00
dgradcorr.f90 Moving gamma_point related modifications in TDDFPT to phonon code. Since gamma_point is disregarded 2010-01-15 13:28:52 +00:00
dhdrhopsi.f90 variables ortho_para and use_task_group moved from control_flags to 2009-11-09 16:07:19 +00:00
dielec.f90 Cleanup of matrix crystal to cartesian transformations 2010-01-15 07:36:54 +00:00
dielec_test.f90 Cleanup of matrix crystal to cartesian transformations 2010-01-15 07:36:54 +00:00
drho.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
drhodv.f90 More bec_type use. 2009-10-27 13:13:15 +00:00
drhodvloc.f90 Small change to comments. 2009-11-11 17:23:54 +00:00
drhodvnl.f90 More bec_type use. 2009-10-27 13:13:15 +00:00
drhodvus.f90 Small change to comments. 2009-11-11 17:23:54 +00:00
dv_of_drho.f90 1) For TDDFPT purposes, subroutine newd does too many things at once, and accepts too few parameters. 2010-01-27 18:50:07 +00:00
dvanqq.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
dvkb3.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
dvpsi_e.f90 Some cleanup due to the use of becp_type. 2009-10-20 12:50:28 +00:00
dvpsi_e2.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
dvqpsi_us.f90 Small cleanup. 2009-10-20 06:37:50 +00:00
dvqpsi_us_only.f90 becp_type used more extensively in the phonon code. 2009-10-21 06:34:59 +00:00
dyndia.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
dynmat.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
dynmat0.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
dynmat_us.f90 becp_type used more extensively in the phonon code. 2009-10-21 06:34:59 +00:00
dynmatcc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
dynmatrix.f90 More symmetry cleanup: symmetries in cartesian axis are calculated once 2010-02-18 14:47:03 +00:00
ef_shift.f90 Further use of nspin_mag in array dimensions. 2009-10-23 13:22:05 +00:00
el_opt.f90 More minor symmetry cleanup 2010-01-15 15:33:11 +00:00
elph.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
elphon.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
find_equiv_sites.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
find_mode_sym.f90 More symmetry cleanup: symmetries in cartesian axis are calculated once 2010-02-18 14:47:03 +00:00
generate_dynamical_matrix_c.f90 A few problems with the last commit fixed 2010-02-13 18:11:21 +00:00
generate_effective_charges_c.f90 A few problems with the last commit fixed 2010-02-13 18:11:21 +00:00
gmressolve_all.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
h_psiq.f90 Small cleanup due to recent changes of becp. 2009-10-14 14:47:36 +00:00
hdiag.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
incdrhoscf.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
incdrhoscf_nc.f90 Save memory in the nonmagnetic spin-orbit case. Some variables are 2009-10-23 11:11:36 +00:00
incdrhous.f90 becp_type used more extensively in the phonon code. 2009-10-21 06:34:59 +00:00
incdrhous_nc.f90 Save memory in the nonmagnetic spin-orbit case. Some variables are 2009-10-23 11:11:36 +00:00
init_representations.f90 More symmetry cleanup: symmetries in cartesian axis are calculated once 2010-02-18 14:47:03 +00:00
initialize_ph.f90 Cleanup. 2009-11-13 17:14:12 +00:00
io_pattern.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
localdos.f90 Further use of nspin_mag in array dimensions. 2009-10-23 13:22:05 +00:00
make.depend More symmetry cleanup: symmetries in cartesian axis are calculated once 2010-02-18 14:47:03 +00:00
matdyn.f90 More symmetry cleanup: checksym and cheall sym inside module symm_base. 2010-02-14 15:36:56 +00:00
mode_group.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
newdq.f90 Very small cleanup. 2009-11-02 13:15:45 +00:00
openfilq.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
orthogonalize.f90 Another small cleanup due to the becp modifications. 2009-10-14 15:19:08 +00:00
pcgreen.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
ph_restart.f90 Array comp_irr_iq was set to zero even when not allocated, causing 2010-01-07 10:55:16 +00:00
phcom.f90 Minor symmetry cleanup: S^{-1} moved to symmetry module and its usage 2010-01-09 15:21:34 +00:00
phescf.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
phonon.f90 Image parallelization of the phonon code. Some ideas on how to split 2009-11-25 16:38:16 +00:00
phq_init.f90 Further cleanup of the main phonon driver. 2009-10-28 17:01:25 +00:00
phq_readin.f90 elph and image parallelization not implemented yet. Introduced a check in 2009-11-26 10:28:10 +00:00
phq_recover.f90 Bug fix: in some cases ierr was not initialized. 2009-12-03 08:53:21 +00:00
phq_setup.f90 More symmetry cleanup: symmetries in cartesian axis are calculated once 2010-02-18 14:47:03 +00:00
phq_summary.f90 More symmetry cleanup: symmetries in cartesian axis are calculated once 2010-02-18 14:47:03 +00:00
phqscf.f90 Small cleanup. 2009-11-17 11:41:12 +00:00
polariz.f90 Cleanup of matrix crystal to cartesian transformations 2010-01-15 07:36:54 +00:00
prepare_q.f90 Small cleanup. 2009-11-13 17:15:30 +00:00
print_clock_ph.f90 Minor cleanup of the phonon code. USE phcom substituted with multiple USE statements 2009-02-02 10:52:58 +00:00
psidspsi.f90 becp_type used more extensively in the phonon code. 2009-10-21 06:34:59 +00:00
psym_dmag.f90 Small change. 2009-11-09 15:33:00 +00:00
psym_dmage.f90 Small change. 2009-11-09 15:33:00 +00:00
psymdvscf.f90 Save memory in the nonmagnetic spin-orbit case. Some variables are 2009-10-23 11:11:36 +00:00
psyme.f90 Save memory in the nonmagnetic spin-orbit case. Some variables are 2009-10-23 11:11:36 +00:00
psyme2.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
punch_plot_e.f90 Very small cleanup. 2009-11-02 13:15:45 +00:00
punch_plot_ph.f90 Bug fix: a file was opened by ionode and closed by all nodes. 2009-11-14 04:59:57 +00:00
q2qstar_ph.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
q2r.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
q_points.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
qdipol_cryst.f90 dpqq and dpqq_so are now kept in the crystal basis. 2009-10-20 06:18:03 +00:00
raman.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
raman_mat.f90 More minor symmetry cleanup 2010-01-15 15:33:11 +00:00
ramanm.f90 Avoid repeating electric field calculations if the tensors are available 2009-11-12 17:17:14 +00:00
random_matrix.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
rigid.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
rotate_and_add_dyn.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
run_pwscf.f90 Small changes, forgotten in previous commits. 2009-11-23 16:37:11 +00:00
save_ph_input.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
set_asr_c.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
set_defaults_pw.f90 More symmetry cleanup: symmetries in cartesian axis are calculated once 2010-02-18 14:47:03 +00:00
set_drhoc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
set_dvscf.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
set_int12_nc.f90 Further use of nspin_mag in array dimensions. 2009-10-23 13:22:05 +00:00
set_irr.f90 Fixed compilation problem in gipaw. Reduntant "trnvect" routine replaced 2010-01-16 06:43:54 +00:00
set_irr_mode.f90 Parameter max_irr_dim removed from phonon and from d3. 2009-10-20 05:59:54 +00:00
set_irr_nosym.f90 Parameter max_irr_dim removed from phonon and from d3. 2009-10-20 05:59:54 +00:00
set_irr_sym.f90 A general cleanup of the phonon parallelism. Now the mp_bcast is done 2009-11-19 10:15:37 +00:00
setlocq.f90 Patch for Coulomb potential in phonon calculations 2009-08-21 15:44:43 +00:00
setqmod.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
setup_dgc.f90 Removed an old tentative to improve the noncollinear-gga case. 2010-01-29 16:52:32 +00:00
sgam_ph.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
smallgq.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
solve_e.f90 A tentative to improve the recover feature of the phonon. When stopping for 2009-11-23 14:58:19 +00:00
solve_e2.f90 A tentative to improve the recover feature of the phonon. When stopping for 2009-11-23 14:58:19 +00:00
solve_e_fpol.f90 A tentative to improve the recover feature of the phonon. When stopping for 2009-11-23 14:58:19 +00:00
solve_e_nscf.f90 Subtle bug fix: zue was not correct after an elop calculation because 2009-11-16 13:16:46 +00:00
solve_linter.f90 A tentative to improve the recover feature of the phonon. When stopping for 2009-11-23 14:58:19 +00:00
star_q.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
stop_ph.f90 Image parallelization of the phonon code. Some ideas on how to split 2009-11-25 16:38:16 +00:00
summarize.f90 Avoid repeating electric field calculations if the tensors are available 2009-11-12 17:17:14 +00:00
sym_and_write_zue.f90 More symmetry cleanup: symz => symtensor in module symme, acting on 2010-01-10 19:51:53 +00:00
sym_def.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
sym_dmag.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
sym_dmage.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
symdvscf.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
symdyn_munu.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
symdynph_gq.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
syme.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
syme2.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
symm.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
tra_write_matrix.f90 More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
transform_alphasum_nc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
transform_alphasum_so.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
transform_dbecsum_nc.f90 Further use of nspin_mag in array dimensions. 2009-10-23 13:22:05 +00:00
transform_dbecsum_so.f90 Further use of nspin_mag in array dimensions. 2009-10-23 13:22:05 +00:00
transform_int_nc.f90 Save memory in the nonmagnetic spin-orbit case. Some variables are 2009-10-23 11:11:36 +00:00
transform_int_so.f90 Save memory in the nonmagnetic spin-orbit case. Some variables are 2009-10-23 11:11:36 +00:00
trntnsc.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00
write_dyn_on_file.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
write_epsilon_and_zeu.f90 Cleanup of the phonon code. epsilon and zstar are written by only one routine. 2009-07-31 15:05:13 +00:00
write_matrix.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
write_ramtns.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
write_rec.f90 A major reorganization of the phonon recover logic. 2009-11-16 17:04:25 +00:00
zstar_eu.f90 More symmetry cleanup: symz => symtensor in module symme, acting on 2010-01-10 19:51:53 +00:00
zstar_eu_us.f90 End of this set of not-so-fundamental changes. Summary: 2009-08-03 09:19:02 +00:00