sbraccia 5e399e3a0b First experimental version of the Laio-Parrinello metadynamics. This implementation ... is compatible with both PWscf and CP. Examples and documentation will follow. C.S. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2199 c92efa57-630b-4861-b058-cf58834340f0		2005-09-20 15:17:18 +00:00
..
Makefile	Merging of gradcorr.f90 and gradcorr_nc.f90.	2005-08-24 16:47:19 +00:00
add_bfield.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
add_efield.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
add_vuspsi.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
add_vuspsi_nc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
addusdens.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
addusforce.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
addusstress.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
allocate_fft.f90	More cleanup of the mixing	2005-06-01 19:12:25 +00:00
allocate_locpot.f90	Machine-dependent definitions are now contained in two different files (both in /include):	2004-06-25 17:25:37 +00:00
allocate_nlpot.f90	- few implicit real to integer type conversion made explicit	2005-08-31 09:19:39 +00:00
allocate_wfc.f90	new PW feature:	2005-03-17 14:47:46 +00:00
atomic_rho.f90	Do not stop if Fermi energy cannot be calculated in a non scf run:	2005-09-14 13:54:24 +00:00
atomic_wfc.f90	- few implicit real to integer type conversion made explicit	2005-08-31 09:19:39 +00:00
atomic_wfc_nc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
becmod.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
bfgs.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
bp_c_phase.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
bp_calc_btq.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
bp_qvan3.f90	more end --> end subroutine [Gerardo]	2005-05-12 15:19:08 +00:00
bp_radin.f	*** empty log message ***	2003-06-11 20:07:53 +00:00
bp_strings.f90	Added copyright notice where missing (please check)	2005-03-21 14:01:19 +00:00
bp_ylm_q.f	out-of-bound error in Berry Phase calculation	2004-01-14 20:14:07 +00:00
c_bands.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
c_gemm.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
c_phase_field.f90	General cleanup of intrinsic functions:	2005-08-26 17:44:42 +00:00
ccalbec.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
ccalbec_nc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
ccgdiagg.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cdiagh.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cdiaghg.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cdiisg_nc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cegterg.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cft3.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cft3s.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cft_3.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cft_fftw.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cft_sgi.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cft_sp.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cft_sun.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cft_t3e.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cfts_3.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cgramg1.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cgramg1_nc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
checkallsym.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
checksym.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cinitcgg.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
clean_pw.f90	chdens.x merged into pp.x - all functionalities are still there	2005-09-13 20:30:18 +00:00
close_files.f90	Order in wavefunctions extrapolation made independent from the order in potential extrapolation.	2005-01-10 06:56:14 +00:00
complex_diis_module.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
compute_dip.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
compute_fes_grads.f90	First experimental version of the Laio-Parrinello metadynamics. This implementation	2005-09-20 15:17:18 +00:00
compute_rho.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
compute_scf.f90	Extensive clean-up and reorganisation of the routines for the calculation	2005-09-17 02:35:57 +00:00
coset.f90	Division by zero without any check: added an error message.	2004-05-17 06:27:55 +00:00
cryst_to_car.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
cubicsym.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
d_matrix.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
data_structure.f90	error (..., -1) => infomsg	2005-08-30 16:27:58 +00:00
davcio.f90	error (..., -1) => infomsg	2005-08-30 16:27:58 +00:00
deriv_drhoc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
diis_base.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
diropn.f90	seqopn.f90 and diropn.f90 modified in such a way that the name of	2005-06-17 13:27:38 +00:00
divide.f90	References to para module replaced (everywhere in PW ) by references to mp_global, pfft, pffts.	2004-09-27 09:11:56 +00:00
divide_et_impera.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
dndepsilon.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
dndtau_of_k.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
dprojdepsilon.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
dprojdtau.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
dqvan2.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
drhoc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
dvloc_of_g.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
dynamics.f90	Another small modification of output format. C.S.	2005-09-20 02:22:00 +00:00
efermig.f90	Do not stop if Fermi energy cannot be calculated in a non scf run:	2005-09-14 13:54:24 +00:00
efermit.f90	Do not stop if Fermi energy cannot be calculated in a non scf run:	2005-09-14 13:54:24 +00:00
electrons.f90	Do not stop if Fermi energy cannot be calculated in a non scf run:	2005-09-14 13:54:24 +00:00
eqvect.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
error_handler.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
estimate.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
ewald.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
ewald_dipole.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
exx.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
fftw.f90	module allocate, calls to mallocate, mfree removed	2003-02-07 16:04:36 +00:00
force_cc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
force_corr.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
force_ew.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
force_hub.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
force_lc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
force_us.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
forces.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
g_psi.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
g_psi_mod.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
g_psi_nc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
gen_at_dj.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
gen_at_dy.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
gen_us_dj.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
gen_us_dy.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
get_locals.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
ggen.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
gk_sort.f90	oops ...	2005-08-31 03:19:07 +00:00
gradcorr.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
gweights.f90	Do not stop if Fermi energy cannot be calculated in a non scf run:	2005-09-14 13:54:24 +00:00
h_1psi.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
h_1psi_nc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
h_epsi_her.f90	Done some cleaning: italian to english	2005-09-01 15:10:48 +00:00
h_psi.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
h_psi_nc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
hexsym.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
hinit0.f90	variable "okvan" moved to module "uspp" + minor cleanup	2005-03-28 13:55:19 +00:00
hinit1.f90	Order in wavefunctions extrapolation made independent from the order in potential extrapolation.	2005-01-10 06:56:14 +00:00
init_at_1.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
init_ns.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
init_paw_1.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
init_paw_2.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
init_pool.f90	Fixed other problems related to the image-parallelisation of NEB and SMD.	2005-02-06 11:04:03 +00:00
init_run.f90	iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used	2004-12-10 15:20:46 +00:00
init_us_1.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
init_us_2.f90	- few implicit real to integer type conversion made explicit	2005-08-31 09:19:39 +00:00
init_vloc.f90	Patches from Axel Kohlmayer:	2004-10-26 09:32:48 +00:00
input.f90	First experimental version of the Laio-Parrinello metadynamics. This implementation	2005-09-20 15:17:18 +00:00
interpolate.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
io_pot.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
ions.f90	iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used	2004-12-10 15:20:46 +00:00
irrek.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
iweights.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
kpoint_grid.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
lchk_tauxk.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
linmin.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
make_pointlists.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
memory.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
mix_pot.f90	error (..., -1) => infomsg	2005-08-30 16:27:58 +00:00
mix_rho.f90	error (..., -1) => infomsg	2005-08-30 16:27:58 +00:00
mode_group.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
move_ions.f90	Extensive clean-up and reorganisation of the routines for the calculation	2005-09-17 02:35:57 +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	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
new_ns.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
newd.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
noncol.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
ns_adj.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
openfil.f90	More merge between xml routines used by cp/fpmd and pwscf. Many fixes in the	2005-08-29 20:29:22 +00:00
ortho.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
orthoatwfc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
output_tau.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
para.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
paw.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
potinit.f90	Small change. Magnetization is printed only when calculated.	2005-09-02 07:37:32 +00:00
print_clock_pw.f90	more changes to the EXX part	2005-08-08 14:56:35 +00:00
psymrho.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
psymrho_mag.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
punch.f90	- added a subroutine to write the charge density in XML plane by plane	2005-08-26 09:28:33 +00:00
pw_gemm.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
pw_restart.f90	Eliminated double declaration:	2005-09-02 16:51:31 +00:00
pwcom.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
pwscf.f90	First experimental version of the Laio-Parrinello metadynamics. This implementation	2005-09-20 15:17:18 +00:00
qvan2.f90	- few implicit real to integer type conversion made explicit	2005-08-31 09:19:39 +00:00
rcgdiagg.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
rdiaghg.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
read_conf_from_file.f90	Small modifications of the output format (some space was missing).	2005-09-19 22:06:31 +00:00
read_file.f90	Some cleanup of the xml punch file: now the pseudopotential is properly	2005-08-30 21:10:04 +00:00
read_ncpp.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
read_pseudo.f90	Added copyright notice where missing (please check)	2005-03-21 14:01:19 +00:00
readin.f90	Machine-dependent definitions are now contained in two different files (both in /include):	2004-06-25 17:25:37 +00:00
readnewvan.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
readvan.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
real_diis_module.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
regterg.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
remove_atomic_rho.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
report_mag.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
reset_k_points.f90	PW, Gamma and NEB are now unified.	2003-12-10 14:57:07 +00:00
restart.f90	More merge between xml routines used by cp/fpmd and pwscf. Many fixes in the	2005-08-29 20:29:22 +00:00
restart_from_file.f90	seqopn.f90 and diropn.f90 modified in such a way that the name of	2005-06-17 13:27:38 +00:00
restart_in_electrons.f90	error (..., -1) => infomsg	2005-08-30 16:27:58 +00:00
restart_in_ions.f90	error (..., -1) => infomsg	2005-08-30 16:27:58 +00:00
rgen.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
rho2zeta.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
rinitcgg.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
rotate_wfc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
rotate_wfc_gamma.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
rotate_wfc_nc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +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	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
s_axis_to_ca.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +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	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
s_psi_nc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
save_in_cbands.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
save_in_electrons.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
save_in_ions.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
scala_cdiag.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
scala_cdiaghg.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
scala_utils.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
scale_h.f90	Very serious bug in variable-cell dynamics and optimization:	2004-12-17 15:43:57 +00:00
scopy_t3e.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
seqopn.f90	seqopn.f90 and diropn.f90 modified in such a way that the name of	2005-06-17 13:27:38 +00:00
set_fft_dim.f90	References to brilz replaced everywhere by cell_base.	2004-04-02 10:30:15 +00:00
set_hubbard_l.f90	Fixed a bug in LDA+U (ns was not always initialized in the correct way). Some cleanup.	2004-12-09 07:20:57 +00:00
set_kplusb.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
set_kplusq.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
set_kup_and_kdw.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
set_rhoc.f90	Do not stop if Fermi energy cannot be calculated in a non scf run:	2005-09-14 13:54:24 +00:00
set_vrs.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
setlocal.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
setqf.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
setup.f90	error (..., -1) => infomsg	2005-08-30 16:27:58 +00:00
setupkpt.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
sgam_at.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
sgam_at_mag.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
sgam_ph.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
sgama.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
show_memory.f90	Machine-dependent definitions are now contained in two different files (both in /include):	2004-06-25 17:25:37 +00:00
smallg_q.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
sph_ind.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
spinor.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
startup.f90	Fixed a bug in the way wg_set variable was initialised (problem affecting parallel NEB calculations).	2005-03-09 17:54:38 +00:00
stop_run.f90	First experimental version of the Laio-Parrinello metadynamics. This implementation	2005-09-20 15:17:18 +00:00
stres_cc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
stres_ewa.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
stres_gradcorr.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
stres_har.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
stres_hub.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
stres_knl.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
stres_loc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
stres_us.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
stress.f90	error (..., -1) => infomsg	2005-08-30 16:27:58 +00:00
struct_fact.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
sum_band.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
sumkg.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
sumkt.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
summary.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
swap.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
symrho.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
symrho_mag.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
symscalar.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
symtns.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
symvect.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
symz.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
tabd.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
trntns.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
trnvecc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
trnvect.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
tweights.f90	Do not stop if Fermi energy cannot be calculated in a non scf run:	2005-09-14 13:54:24 +00:00
update_pot.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
updathes.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
upf_to_internal.f90	error (..., -1) => infomsg	2005-08-30 16:27:58 +00:00
usnldiag.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
usnldiag_nc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
v_of_rho.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
vcsmd.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
vcsubs.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
vhpsi.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
vhpsi_nc.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
vloc_of_g.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
vloc_psi.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
vpack.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
w0gauss.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
w1gauss.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
wfcinit.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
wgauss.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
write_config_to_file.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
write_ns.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00
wsweight.f90	dbl => DP (defined as previously dbl was)	2005-08-28 14:09:42 +00:00