.. |
Makefile
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Fixed dependencies from metagga.
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2005-07-15 13:21:32 +00:00 |
add_dkmds.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
add_for_charges.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
add_zstar_ue.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
add_zstar_ue_us.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
addcore.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
adddvepsi_us.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
adddvscf.f90
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variable "okvan" moved to module "uspp" + minor cleanup
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2005-03-28 13:55:19 +00:00 |
addnlcc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
addnlcc_zstar_eu_us.f90
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Old parallel variables (such as me mypool) removed from PH.
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2004-11-03 10:58:17 +00:00 |
addusdbec.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
addusddens.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
addusddense.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
addusdynmat.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
addusldos.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
allocate_part.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
allocate_phq.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
bcast_ph_input.f90
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Oops, parallel compilation fixed
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2005-03-04 18:24:38 +00:00 |
bcast_ph_input1.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cft_wave.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
cg_psi.f90
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PH: cleanup of cgsolve_all in order to reduce memory use.
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2004-05-31 16:19:23 +00:00 |
cgsolve_all.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
ch_psi_all.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
chi_test.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
close_phq.f90
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variable "okvan" moved to module "uspp" + minor cleanup
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2005-03-28 13:55:19 +00:00 |
compute_alphasum.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
compute_becalp.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
compute_becsum.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
compute_drhous.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
compute_dvloc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
compute_nldyn.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
compute_qdipol.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
compute_weight.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
d2ionq.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
d2mxc.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
davcio_drho.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
deallocate_part.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
deallocate_phq.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
dgcxc.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
dgcxc_spin.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
dgradcorr.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dhdrhopsi.f90
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More minor changes to restart, cpu time printout
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2005-04-21 14:37:21 +00:00 |
dielec.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dielec_test.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
dmxc.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
dmxc_spin.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
drho.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
drhodv.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
drhodvloc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
drhodvnl.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
drhodvus.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dv_of_drho.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dvanqq.f90
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Memory leak in Raman code fixed
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2004-11-18 14:47:19 +00:00 |
dvkb3.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
dvpsi_e.f90
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The new subroutine flush_unit() is used everywhere. C.S.
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2005-05-25 02:58:35 +00:00 |
dvpsi_e2.f90
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More minor changes to restart, cpu time printout
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2005-04-21 14:37:21 +00:00 |
dvqpsi_us.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dvqpsi_us_only.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dyndia.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dynmat0.f90
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iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
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2004-12-10 15:20:46 +00:00 |
dynmat_us.f90
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Old parallel variables (such as me mypool) removed from PH.
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2004-11-03 10:58:17 +00:00 |
dynmatcc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dynmatrix.f90
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Minor changes to printout of Raman coeffcients
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2005-05-18 17:47:38 +00:00 |
ef_shift.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
el_opt.f90
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More minor changes to restart, cpu time printout
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2005-04-21 14:37:21 +00:00 |
elph.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
elphon.f90
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calls to efermi updated to the new syntax
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2005-03-29 12:22:02 +00:00 |
h_psiq.f90
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becp = <beta|psi> allocated only when needed (except in phonon where it is
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2004-05-11 21:08:21 +00:00 |
hdiag.f90
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Raman working again -mMiscellaneous cleanup and attempts to speed yp
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2005-04-15 15:43:33 +00:00 |
incdrhoscf.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
incdrhous.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
io_pattern.f90
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uffa...
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2005-04-21 14:58:35 +00:00 |
localdos.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
newdq.f90
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bug fix in phonon code.
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2005-01-11 09:15:56 +00:00 |
openfilq.f90
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seqopn.f90 and diropn.f90 modified in such a way that the name of
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2005-06-17 13:27:38 +00:00 |
pcgreen.f90
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Raman working again -mMiscellaneous cleanup and attempts to speed yp
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2005-04-15 15:43:33 +00:00 |
phcom.f90
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Less buggy Raman restart - not yet final
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2005-04-21 12:41:18 +00:00 |
phonon.f90
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seqopn.f90 and diropn.f90 modified in such a way that the name of
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2005-06-17 13:27:38 +00:00 |
phq_init.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
phq_readin.f90
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New routine input_from_file called everywhere
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2005-06-09 07:35:50 +00:00 |
phq_recover.f90
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More minor changes to restart, cpu time printout
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2005-04-21 14:37:21 +00:00 |
phq_setup.f90
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Raman working again -mMiscellaneous cleanup and attempts to speed yp
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2005-04-15 15:43:33 +00:00 |
phq_summary.f90
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The new subroutine flush_unit() is used everywhere. C.S.
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2005-05-25 02:58:35 +00:00 |
phqscf.f90
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More minor changes to restart, cpu time printout
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2005-04-21 14:37:21 +00:00 |
print_clock_ph.f90
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More minor changes to restart, cpu time printout
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2005-04-21 14:37:21 +00:00 |
psidspsi.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
psymdvscf.f90
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Some undeclared variables explicitly declared.
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2004-11-16 13:27:56 +00:00 |
psyme.f90
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Some undeclared variables explicitly declared.
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2004-11-16 13:27:56 +00:00 |
psyme2.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
punch_plot_e.f90
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Delta rho should be symmetrized before it is written.
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2005-03-08 11:44:57 +00:00 |
punch_plot_ph.f90
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Old parallel variables (such as me mypool) removed from PH.
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2004-11-03 10:58:17 +00:00 |
q2qstar_ph.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
q_points.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
raman.f90
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More minor changes to restart, cpu time printout
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2005-04-21 14:37:21 +00:00 |
raman_mat.f90
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Minor changes to printout of Raman coeffcients
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2005-05-18 17:47:38 +00:00 |
ramanm.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
random_matrix.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
rotate_and_add_dyn.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
set_drhoc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
set_dvscf.f90
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Delta rho should be symmetrized before it is written.
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2005-03-08 11:44:57 +00:00 |
set_irr.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
set_irr_mode.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
set_irr_nosym.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
setlocq.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
setqmod.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
setup_dgc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
smallgq.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
solve_e.f90
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seqopn.f90 and diropn.f90 modified in such a way that the name of
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2005-06-17 13:27:38 +00:00 |
solve_e2.f90
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seqopn.f90 and diropn.f90 modified in such a way that the name of
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2005-06-17 13:27:38 +00:00 |
solve_e_nscf.f90
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Raman working again -mMiscellaneous cleanup and attempts to speed yp
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2005-04-15 15:43:33 +00:00 |
solve_linter.f90
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seqopn.f90 and diropn.f90 modified in such a way that the name of
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2005-06-17 13:27:38 +00:00 |
star_q.f90
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iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
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2004-12-10 15:20:46 +00:00 |
stop_ph.f90
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iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
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2004-12-10 15:20:46 +00:00 |
sym_and_write_zue.f90
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small change in output format [Gerardo]
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2004-07-14 14:23:51 +00:00 |
sym_def.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
sym_elop.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
symdvscf.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
symdyn_munu.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
symdynph_gq.f90
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Added optimized support for ALTIX machines - contributed by Martin Hilgeman
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2005-01-07 12:57:41 +00:00 |
syme.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
syme2.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
symram.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
tra_write_matrix.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
trntnsc.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
trntnsr_3.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
write_dyn_on_file.f90
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PH: cleanup of cgsolve_all in order to reduce memory use.
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2004-05-31 16:19:23 +00:00 |
write_epsilon_and_zeu.f90
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small change in output format [Gerardo]
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2004-07-14 14:23:51 +00:00 |
write_matrix.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
write_ramtns.f90
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Minor changes to printout of Raman coeffcients
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2005-05-18 17:47:38 +00:00 |
zstar_eu.f90
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writting Z* in proper way
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2004-08-27 09:00:02 +00:00 |
zstar_eu_us.f90
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Added copyright notice where missing (please check)
|
2005-03-21 14:01:19 +00:00 |