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quantum-espresso/D3
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giannozz f946339d97 Some undesired changes slipped into yesterday's commit. 
Workaround for crash in pwcond after recenbt changes to phonon symmetry:
a more definitive solution is needed for clean_pw, though


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5204 c92efa57-630b-4861-b058-cf58834340f0
 		2008-09-19 08:46:31 +00:00
..
Makefile - missing Modules object files (XLF v11.1 complains) 2008-09-12 16:59:51 +00:00
allocate_d3.f90 More cleanup (?): modules "uspp" and "symme" extracted from "pwcom" 2008-08-23 17:55:06 +00:00
bcast_d3_input.f90 Fixed yesterday's commit 2008-08-23 08:00:36 +00:00
ch_psi_all2.f90 More cleanup (?): modules "uspp" and "symme" extracted from "pwcom" 2008-08-23 17:55:06 +00:00
close_open.f90 seqopn.f90 and diropn.f90 modified in such a way that the name of 2005-06-17 13:27:38 +00:00
d0rhod2v.f90 More cleanup (?): modules "uspp" and "symme" extracted from "pwcom" 2008-08-23 17:55:06 +00:00
d2mxc.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
d3_exc.f90 - reduce replaced by mp_sum 2008-04-13 18:31:27 +00:00
d3_init.f90 Option lnscf always set to .true.. More phonon symmetry cleanup: 2008-09-05 09:52:22 +00:00
d3_readin.f90 Removed q-point from PWscf (variable xqq), removed phonon-related variables 2008-09-18 20:27:46 +00:00
d3_recover.f90 Old parallel variables (such as me mypool) removed from D3. 2004-11-04 12:09:48 +00:00
d3_setup.f90 Introduced a new variable nosym_evc. If .true. the code does not use 2008-09-16 13:53:01 +00:00
d3_summary.f90 More cleanup (?): modules "uspp" and "symme" extracted from "pwcom" 2008-08-23 17:55:06 +00:00
d3_symdyn.f90 - celanup, poolreduce replaced by mp_sum(...,inter_pool_comm) 2008-01-23 17:50:56 +00:00
d3_symdynph.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
d3_valence.f90 - cleanup, poolreduce replaced by mp_sum 2008-01-23 23:39:08 +00:00
d3com.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
d3dyn_cc.f90 - cleanup, poolreduce replaced by mp_sum 2008-01-23 23:39:08 +00:00
d3ionq.f90 - cleanup, poolreduce replaced by mp_sum 2008-01-23 23:39:08 +00:00
d3matrix.f90 Option lnscf always set to .true.. More phonon symmetry cleanup: 2008-09-05 09:52:22 +00:00
d3toten.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
d3vrho.f90 - reduce replaced by mp_sum 2008-04-13 18:31:27 +00:00
davcio_drho2.f90 - scatter/gather like subroutines that act on fft grids, 2008-01-08 09:19:31 +00:00
dpsi_corr.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dpsidpsidv.f90 - reduce replaced by mp_sum 2008-04-13 18:31:27 +00:00
dpsidvdpsi.f90 More cleanup (?): modules "uspp" and "symme" extracted from "pwcom" 2008-08-23 17:55:06 +00:00
dqrhod2v.f90 More cleanup (?): modules "uspp" and "symme" extracted from "pwcom" 2008-08-23 17:55:06 +00:00
drho_cc.f90 More cleanup from Axel: 2006-12-11 10:19:53 +00:00
drho_drc.f90 Redundant variable nlcc eliminated 2007-10-29 10:20:01 +00:00
drhod2v.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dvdpsi.f90 Removed q-point from PWscf (variable xqq), removed phonon-related variables 2008-09-18 20:27:46 +00:00
dvscf.f90 Redundant variable nlcc eliminated 2007-10-29 10:20:01 +00:00
gen_dpdvp.f90 More cleanup (?): modules "uspp" and "symme" extracted from "pwcom" 2008-08-23 17:55:06 +00:00
gen_dwfc.f90 Old parallel variables (such as me mypool) removed from D3. 2004-11-04 12:09:48 +00:00
incdrhoscf2.f90 More cleanup (?): modules "uspp" and "symme" extracted from "pwcom" 2008-08-23 17:55:06 +00:00
make.depend Some undesired changes slipped into yesterday's commit. 2008-09-19 08:46:31 +00:00
openfild3.f90 Old file format and related files deleted, makefiles updated accordingly 2006-03-23 11:00:52 +00:00
print_clock_d3.f90 - cleanup, poolreduce replaced by mp_sum 2008-01-23 23:39:08 +00:00
psymd0rho.f90 More cleanup (?): modules "uspp" and "symme" extracted from "pwcom" 2008-08-23 17:55:06 +00:00
qstar_d3.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
read_ef.f90 Old parallel variables (such as me mypool) removed from D3. 2004-11-04 12:09:48 +00:00
rotate_and_add_d3.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
set_d3irr.f90 More cleanup (?): modules "uspp" and "symme" extracted from "pwcom" 2008-08-23 17:55:06 +00:00
set_efsh.f90 - reduce replaced by mp_sum 2008-04-13 18:31:27 +00:00
set_sym_irr.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
solve_linter_d3.f90 Removed q-point from PWscf (variable xqq), removed phonon-related variables 2008-09-18 20:27:46 +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 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
symd0rho.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
trntnsc_3.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
w_1gauss.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
write_aux.f90 Machine-dependent definitions are now contained in two different files (both in /include): 2004-06-25 17:25:37 +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 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00