..
Makefile
This is a quite complex check-in, but actually not very much is done. Changelog follows.
2008-04-03 15:50:43 +00:00
allocate_d3.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
bcast_d3_input.f90
The phonon code was writing garbage on output under "Title"
2006-04-06 12:13:54 +00:00
ch_psi_all2.f90
- reduce replaced by mp_sum
2008-04-13 18:31:27 +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
- reduce replaced by mp_sum
2008-04-13 18:31:27 +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
Old BHS potentials removed everywhere
2007-10-16 15:07:42 +00:00
d3_readin.f90
getenv replaced by wrapper get_env, preprocessed only in a single file
2006-10-11 14:42:42 +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
- scatter/gather like subroutines that act on fft grids,
2008-01-08 09:19:31 +00:00
d3_summary.f90
Misc pseudopotential cleanup: upf_to_internal merged between CP and PW;
2007-03-18 19:24:56 +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
Changes required by interfacing with new electron-phonon code (Matteo):
2008-03-11 15:38:23 +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
- reduce replaced by mp_sum
2008-04-13 18:31:27 +00:00
dqrhod2v.f90
- reduce replaced by mp_sum
2008-04-13 18:31:27 +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
- reduce replaced by mp_sum
2008-04-13 18:31:27 +00:00
dvscf.f90
Redundant variable nlcc eliminated
2007-10-29 10:20:01 +00:00
gen_dpdvp.f90
- reduce replaced by mp_sum
2008-04-13 18:31:27 +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
dbl => DP (defined as previously dbl was)
2005-08-28 14:09:42 +00:00
make.depend
Minor changes tothe qexml file format, by AF: in particular, added the
2008-04-18 12:29:55 +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
- scatter/gather like subroutines that act on fft grids,
2008-01-08 09:19:31 +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
dbl => DP (defined as previously dbl was)
2005-08-28 14:09:42 +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
sgama_d3.f90
dbl => DP (defined as previously dbl was)
2005-08-28 14:09:42 +00:00
solve_linter_d3.f90
- reduce replaced by mp_sum
2008-04-13 18:31:27 +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
c85f1c444e