fabris 73d33ae8ad Implementation of LDA+U gamma_only calculations. ... git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@588 c92efa57-630b-4861-b058-cf58834340f0		2004-02-12 12:32:06 +00:00
..
Makefile	LDA+U forces and stress are now much faster (yet not optimal)	2004-01-24 14:44:20 +00:00
aainit.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
add_efield.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
add_vuspsi.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
addusdens.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
addusforce.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
addusstress.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
allocate_fft.f90	cleanup	2004-01-17 13:44:31 +00:00
allocate_locpot.f90	cleanup	2004-01-19 21:05:26 +00:00
allocate_nlpot.f90	LDA+U forces and stress are now much faster (yet not optimal)	2004-01-24 14:44:20 +00:00
allocate_wfc.f90	PW, Gamma and NEB are now unified.	2003-12-10 14:57:07 +00:00
atomic_rho.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
atomic_wfc.f90	LDA+U forces and stress are now much faster (yet not optimal)	2004-01-24 14:44:20 +00:00
bachel.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
becmod.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
bfgs.f90	Examples updated, misc	2004-02-06 10:37:30 +00:00
bp_bess.f	*** empty log message ***	2003-06-11 20:07:53 +00:00
bp_c_phase.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
bp_calc_btq.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
bp_dbess.f	*** empty log message ***	2003-06-11 20:07:53 +00:00
bp_qvan3.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
bp_radin.f	*** empty log message ***	2003-06-11 20:07:53 +00:00
bp_strings.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
bp_ylm_q.f	out-of-bound error in Berry Phase calculation	2004-01-14 20:14:07 +00:00
bp_zgedi.f	Check on undefined variables, out-of-bound arrays	2004-01-06 10:53:30 +00:00
bp_zgefa.f	Check on undefined variables, out-of-bound arrays	2004-01-06 10:53:30 +00:00
broadcast.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
c_bands.f90	cleanup: tabulators, "oppenhimer"!!!	2004-02-05 16:41:36 +00:00
c_gemm.f90	Unit stdout (set in Modules/io_global.f90) is used to write on standard output	2003-11-04 10:53:05 +00:00
ccalbec.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
ccgdiagg.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cdiagh.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cdiaghg.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cdiisg.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cegterg.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cft3.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cft3s.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cft_3.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cft_fftw.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cft_sgi.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cft_sp.f90	- AIX changed in __AIX	2003-02-23 11:34:24 +00:00
cft_sun.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cft_t3e.f90	Unit stdout (set in Modules/io_global.f90) is used to write on standard output	2003-11-04 10:53:05 +00:00
cfts_3.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cgather_sym.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
cgramg1.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
check.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
checkallsym.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
checksym.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cinitcgg.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
clean_pw.f90	Again an allocatable array (recently added) that is not deallocated in clean_pw.	2004-01-27 09:30:12 +00:00
close_files.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
compute_dip.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
constrain.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
conv_to_num.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
coset.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cryst_to_car.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
cubicsym.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
d_matrix.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
data_structure.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
date_and_tim.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
davcio.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
delta_e.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
deriv_drhoc.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
diropn.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
divide.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
divide_et_impera.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
dndepsilon.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
dndtau.f90	LDA+U forces and stress are now much faster (yet not optimal)	2004-01-24 14:44:20 +00:00
dprojdepsilon.f90	LDA+U forces and stress are now much faster (yet not optimal)	2004-01-24 14:44:20 +00:00
dprojdtau.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
dqvan2.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
drhoc.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
dsum.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
dvloc_of_g.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
dylmr2.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
dynamics.f90	Documentation updated, some changes to output in dynamics and in summary	2004-02-03 12:08:55 +00:00
efermig.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
efermit.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
electrons.f90	Call to the flush subroutine back to its place: too many "nonlocal effects" in using cpflush().	2004-01-27 17:08:51 +00:00
eqvect.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
error.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
error_handler.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
estimate.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
ewald.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
fft_scatter.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
fftw.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
force_cc.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
force_corr.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
force_ew.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
force_hub.f90	LDA+U forces and stress are now much faster (yet not optimal)	2004-01-24 14:44:20 +00:00
force_lc.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
force_us.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
forces.f90	Implementation of LDA+U gamma_only calculations.	2004-02-12 12:32:06 +00:00
funct.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
functionals.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
g_psi.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
g_psi_mod.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
gather.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
gen_at_dj.f90	a few variable declarations have been fixed	2004-01-24 15:20:48 +00:00
gen_at_dy.f90	a few variable declarations have been fixed	2004-01-24 15:20:48 +00:00
gen_us_dj.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
gen_us_dy.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
ggen.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
gk_sort.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
gradcorr.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
gweights.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
h_1psi.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
h_psi.f90	Workaround in PW/h_psi.f90 for ifc v.8 (works, only pwcond doesn't)	2004-01-28 18:14:17 +00:00
hexsym.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
hinit0.f90	LDA+U forces and stress are now much faster (yet not optimal)	2004-01-24 14:44:20 +00:00
hinit1.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
init_at_1.f90	a few variable declarations have been fixed	2004-01-24 15:20:48 +00:00
init_ns.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
init_pool.f90	Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"	2003-02-21 14:57:00 +00:00
init_run.f90	Tabs removed (again)	2004-01-05 18:11:01 +00:00
init_us_1.f90	compilation glitches in parallel case	2004-01-24 17:24:46 +00:00
init_us_2.f90	More module cleanup : pwcom no longer called in PW/	2004-01-24 15:43:09 +00:00
init_vloc.f90	More module cleanup : pwcom no longer called in PW/	2004-01-24 15:43:09 +00:00
input.f90	The new bfgs minimization scheme is now the default.	2004-02-09 11:15:33 +00:00
interpolate.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
invmat.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
io_pot.f90	compilation error in parallel	2004-01-23 15:32:48 +00:00
io_routines.f90	Fixed a bug in the parallel version of neb (a bcast was missing).	2004-02-04 15:34:42 +00:00
ions.f90	More module cleanup : pwcom no longer called in PW/	2004-01-24 15:43:09 +00:00
irrek.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
iweights.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
kpoint_grid.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
lchk_tauxk.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
linmin.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
lsda_functionals.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
maximum.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
memory.f90	Changes in "memory" and in "vcsubs" to prevent overflow	2004-01-29 17:10:12 +00:00
minimization_routines.f90	Removed all references to miscellany. basic_algebra_routines and parser are used instead.	2004-02-02 17:31:15 +00:00
mix_pot.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
mix_rho.f90	cleanup: tabulators, "oppenhimer"!!!	2004-02-05 16:41:36 +00:00
mode_group.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
move_ions.f90	The new bfgs minimization scheme is now the default.	2004-02-09 11:15:33 +00:00
multable.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
n_plane_waves.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
neb_routines.f90	cleanup: tabulators, "oppenhimer"!!!	2004-02-05 16:41:36 +00:00
neb_variables.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
new_ns.f90	Implementation of LDA+U gamma_only calculations.	2004-02-12 12:32:06 +00:00
newd.f90	compilation glitches in parallel case	2004-01-24 17:24:46 +00:00
noncol.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
openfil.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
ortho.f90	More module cleanup : pwcom no longer called in PW/	2004-01-24 15:43:09 +00:00
orthoatwfc.f90	Implementation of LDA+U gamma_only calculations.	2004-02-12 12:32:06 +00:00
output_tau.f90	printout of cell parameters corrected in PW/output_tau.f90,	2004-02-03 13:50:14 +00:00
para.f90	Added SAVE to all modules	2003-10-17 12:03:47 +00:00
poolbcast.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
poolextreme.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
poolrecover.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
poolreduce.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
poolscatter.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
potinit.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
print_clock_pw.f90	More module cleanup : pwcom no longer called in PW/	2004-01-24 15:43:09 +00:00
psymrho.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
punch.f90	More module cleanup : pwcom no longer called in PW/	2004-01-24 15:43:09 +00:00
pw_gemm.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
pwcom.f90	The new bfgs minimization scheme is now the default.	2004-02-09 11:15:33 +00:00
pwscf.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
qvan2.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
random.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
rbecmod.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
rdiaghg.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
read_conf_from_file.f90	More module cleanup : pwcom no longer called in PW/	2004-01-24 15:43:09 +00:00
read_file.f90	More module cleanup : pwcom no longer called in PW/	2004-01-24 15:43:09 +00:00
read_ncpp.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
read_pseudo.f90	cleanup	2004-01-16 09:18:28 +00:00
readin.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
readnewvan.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
readvan.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
reduce.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
regterg.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
remove_atomic_rho.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
reset_k_points.f90	PW, Gamma and NEB are now unified.	2003-12-10 14:57:07 +00:00
restart.f90	More module cleanup : pwcom no longer called in PW/	2004-01-24 15:43:09 +00:00
restart_from_file.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
restart_in_electrons.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
restart_in_ions.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
rgen.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
rho2zeta.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
rotate_wfc.f90	Cleanup. Only one auxiliary vector is used (instead of both hpsi and spsi).	2004-02-10 08:43:32 +00:00
rotate_wfc_gamma.f90	Cleanup. Only one auxiliary vector is used (instead of both hpsi and spsi).	2004-02-10 08:43:32 +00:00
ruotaijk.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
s_1psi.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
s_axis_to_ca.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
s_gemm.f90	Unit stdout (set in Modules/io_global.f90) is used to write on standard output	2003-11-04 10:53:05 +00:00
s_psi.f90	Workaround in PW/h_psi.f90 for ifc v.8 (works, only pwcond doesn't)	2004-01-28 18:14:17 +00:00
save_in_cbands.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
save_in_electrons.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
save_in_ions.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
saveall.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
scala_cdiag.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
scala_cdiaghg.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
scala_utils.f90	22 apr 2003 All setv statements in PW repalaced by f90 constructs.	2003-04-22 16:03:45 +00:00
scale_h.f90	Some cleanup	2004-01-15 15:50:19 +00:00
scatter.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
scopy_t3e.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
seqopn.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
set_fft_dim.f90	Some cleanup	2004-01-15 15:50:19 +00:00
set_hubbard_l.f90	minor changes in LDA+U and formatting	2003-02-25 13:43:33 +00:00
set_kplusq.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
set_kup_and_kdw.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
set_rhoc.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
set_vrs.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
setlocal.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
setqf.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
setup.f90	Corrected a misleading warning.	2004-01-23 17:00:45 +00:00
setupkpt.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
sgam_at.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
sgam_ph.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
sgama.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
show_memory.f90	Unit stdout (set in Modules/io_global.f90) is used to write on standard output	2003-11-04 10:53:05 +00:00
smallg_q.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
startup.f90	The trick suggested by Francesco Antoniella ( input from file ) is now coded	2003-12-16 15:43:57 +00:00
stop_pw.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
stres_cc.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
stres_ewa.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
stres_gradcorr.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
stres_har.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
stres_hub.f90	LDA+U forces and stress are now much faster (yet not optimal)	2004-01-24 14:44:20 +00:00
stres_knl.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
stres_loc.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
stres_us.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
stress.f90	atomic unit -> ryd/bohr^3 when printing out stress tensor	2004-02-06 10:12:55 +00:00
struct_fact.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
sum_band.f90	argh, there was one occurrence of IMAG instead of DIMAG ...	2004-02-07 11:38:50 +00:00
sumkg.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
sumkt.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
summary.f90	format was causing trouble with 'f' projectors	2004-02-11 17:48:03 +00:00
supercell.f90	Removed all references to miscellany. basic_algebra_routines and parser are used instead.	2004-02-02 17:31:15 +00:00
swap.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
symrho.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
symtns.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
symvect.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
tabd.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
trntns.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
trnvecc.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
trnvect.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
tweights.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
update_pot.f90	Singular Value Decomposition used in extrapolate_wfc:	2004-02-10 14:54:54 +00:00
updathes.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
upf_to_internal.f90	Some cleanup	2004-01-15 15:50:19 +00:00
usnldiag.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
v_of_rho.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
vcsmd.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
vcsubs.f90	Changes in "memory" and in "vcsubs" to prevent overflow	2004-01-29 17:10:12 +00:00
vhpsi.f90	Implementation of LDA+U gamma_only calculations.	2004-02-12 12:32:06 +00:00
vloc_of_g.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
vloc_psi.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
vpack.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
w0gauss.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
w1gauss.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
wfcinit.f90	Implementation of LDA+U gamma_only calculations.	2004-02-12 12:32:06 +00:00
wgauss.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
which_dft.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
write_config_to_file.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
write_ns.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
wsweight.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00
ylmr2.f90	Extensive module cleanup: DP moved from wrong place (parameters) to the	2004-01-23 15:08:03 +00:00