cavazzon 23aec87a2f - more performance issues ... - ifdef __PARA removed from the main subroutine of PW, Gamma, D3, PP, PH now startup is called both for serial and parallel codes. - cfts_3 included in fft_scalar ( tested for __AIX ) - module pencils in serial executions is no more needed git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@189 c92efa57-630b-4861-b058-cf58834340f0		2003-04-28 07:23:04 +00:00
..
Makefile	function allowed moved to fft_scalar	2003-04-22 21:45:49 +00:00
add_zstar_ue.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
addcore.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
adddvepsi_us.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
adddvscf.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
addnlcc.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
addusdbec.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
addusddens.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
addusddense.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
addusdynmat.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
addusldos.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
allocate_part.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
allocate_phq.f90	evc is dimensioned (npwx, nbnd) - various routines changed	2003-04-08 07:13:30 +00:00
bcast_ph_input.f90	calls to mpi_bcast replaced by calls to interface mp_bicast	2003-03-24 15:25:17 +00:00
bcast_ph_input1.f90	calls to mpi_bcast replaced by calls to interface mp_bicast	2003-03-24 15:25:17 +00:00
cg_psi.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
cgsolve_all.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
ch_psi_all.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
compute_alphasum.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
compute_becalp.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
compute_becsum.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
compute_drhous.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
compute_dvloc.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
compute_nldyn.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
compute_qdipol.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
compute_weight.f90	Do not restart bfgs from previous results if restart_mode='from_scratch'	2003-03-27 15:47:30 +00:00
d2ionq.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
davcio_drho.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
dgcxc.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
dgcxc_spin.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
dgradcorr.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
dielec.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
dmxc.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
dmxc_spin.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
drho.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
drhodv.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
drhodvloc.f90	solo piccole riformattazioni per aumentare la leggibilita`	2003-04-07 14:13:17 +00:00
drhodvnl.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
drhodvus.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
dv_of_drho.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
dvanqq.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
dvpsi_e.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
dvqpsi_us.f90	- call to dvqpsi_us in PH/elphon.f90 updated with recent	2003-03-21 16:20:59 +00:00
dvqpsi_us_only.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
dyndia.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
dynmat0.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
dynmat_us.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
dynmatcc.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
dynmatrix.f90	solo piccole riformattazioni per aumentare la leggibilita`	2003-04-07 14:13:17 +00:00
ef_shift.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
elph.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
elphon.f90	D3/Makefile : missing add_efield added	2003-04-07 12:55:29 +00:00
h_psiq.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
incdrhoscf.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
incdrhous.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
io_pattern.f90	All filenames => 80 char	2003-04-12 19:25:08 +00:00
localdos.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
newdq.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
openfilq.f90	All filenames => 80 char	2003-04-12 19:25:08 +00:00
phcom.f90	All filenames => 80 char	2003-04-12 19:25:08 +00:00
phonon.f90	- more performance issues	2003-04-28 07:23:04 +00:00
phq_init.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
phq_readin.f90	Do not restart bfgs from previous results if restart_mode='from_scratch'	2003-03-27 15:47:30 +00:00
phq_recover.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
phq_setup.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
phq_summary.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
phqscf.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
print_clock_ph.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
psymdvscf.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
psyme.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
punch_plot_e.f90	All filenames => 80 char	2003-04-12 19:25:08 +00:00
punch_plot_ph.f90	All filenames => 80 char	2003-04-12 19:25:08 +00:00
q2qstar_ph.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
random_matrix.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
rotate_and_add_dyn.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
set_drhoc.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
set_irr.f90	- call to dvqpsi_us in PH/elphon.f90 updated with recent	2003-03-21 16:20:59 +00:00
set_irr_mode.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
set_irr_nosym.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
setlocq.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
setqmod.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
setup_dgc.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
smallgq.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
solve_e.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
solve_linter.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
star_q.f90	PH/star_q.f90 : wrong call to sgama fixed	2003-03-19 17:00:38 +00:00
stop_ph.f90	More FFT restructuring (CC). Updates to manual.	2003-04-25 08:36:45 +00:00
sym_and_write_zue.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
sym_def.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
symdvscf.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
symdyn_munu.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
symdynph_gq.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
syme.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
symz.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
tra_write_matrix.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
trntnsc.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
write_dyn_on_file.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
write_epsilon_and_zeu.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
write_matrix.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
zstar_eu.f90	evc is dimensioned (npwx, nbnd) - various routines changed	2003-04-08 07:13:30 +00:00