..
Makefile
More t3e fixes
2004-06-25 14:23:15 +00:00
add_efield.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
add_vuspsi.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
addusdens.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
addusforce.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
addusstress.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
allocate_fft.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
allocate_wfc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
atomic_rho.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
atomic_wfc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Modules becmod, rbecmod (one variable each) merged into a single module
2004-06-12 20:37:01 +00:00
bfgs.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
bp_bess.f
*** empty log message ***
2003-06-11 20:07:53 +00:00
bp_c_phase.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
bp_calc_btq.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
bp_dbess.f
*** empty log message ***
2003-06-11 20:07:53 +00:00
bp_qvan3.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
bp_radin.f
*** empty log message ***
2003-06-11 20:07:53 +00:00
bp_strings.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
c_bands.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
ccgdiagg.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cdiagh.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cdiaghg.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cegterg.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cft3.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cft3s.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cft_3.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cft_fftw.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cft_sgi.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cft_sp.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cft_sun.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cft_t3e.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cfts_3.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
cgramg1.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
checkallsym.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
clean_pw.f90
Cleanup of the molecular dynamics routines. Some debug messages removed. Some duplicated variables (fixatom and if_pos) removed from pwcom (already present in ions_base). A logical variable lfixatom added in control_flags. The output of a molecular dynamics run has been slightlychanged to be (hopefully) clearer.
2004-06-11 16:53:16 +00:00
close_files.f90
openfil.f90: fixed a bug related to __NEW_PUNCH
2004-03-31 17:06:39 +00:00
compute_dip.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
compute_scf.f90
Cleanup of the molecular dynamics routines. Some debug messages removed. Some duplicated variables (fixatom and if_pos) removed from pwcom (already present in ions_base). A logical variable lfixatom added in control_flags. The output of a molecular dynamics run has been slightlychanged to be (hopefully) clearer.
2004-06-11 16:53:16 +00:00
constraints_module.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Extensive module cleanup: DP moved from wrong place (parameters) to the
2004-01-23 15:08:03 +00:00
cubicsym.f90
added support for g95
2004-05-06 13:06:16 +00:00
d_matrix.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
data_structure.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
diis_module.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
diropn.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dndepsilon.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dndtau.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dprojdepsilon.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dprojdtau.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dqvan2.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
drhoc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dvloc_of_g.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
dynamics.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
eqvect.f90
*** empty log message ***
2004-03-15 07:59:07 +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
ewald_dipole.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
fftw.f90
module allocate, calls to mallocate, mfree removed
2003-02-07 16:04:36 +00:00
force_cc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
force_corr.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
force_ew.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
force_hub.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
force_lc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
force_us.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
forces.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
functionals.f90
Updated functionals and installation mechanisms, ready for addition
2004-05-14 12:55:23 +00:00
g_psi.f90
Yet another version of the DIIS algorithm (it substitutes the previous one). This version is slower (but not dramatically) than davidson for small systems, faster for large systems (the cross-over is around 300 bands), but there is space for further improvements. A gamma-point version is also implemented (previously missing). An "holes-sniffer" is implemented to prevent holes in the eigenvalues spectrum.
2004-05-11 08:11:52 +00:00
g_psi_mod.f90
Yet another version of the DIIS algorithm (it substitutes the previous one). This version is slower (but not dramatically) than davidson for small systems, faster for large systems (the cross-over is around 300 bands), but there is space for further improvements. A gamma-point version is also implemented (previously missing). An "holes-sniffer" is implemented to prevent holes in the eigenvalues spectrum.
2004-05-11 08:11:52 +00:00
gen_at_dj.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
gen_at_dy.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
gen_us_dj.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
gen_us_dy.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
ggen.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
gweights.f90
The array of communicators was non necessary (thanks to SdG): removed everywhere.
2004-03-24 16:30:44 +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
Modules becmod, rbecmod (one variable each) merged into a single module
2004-06-12 20:37:01 +00:00
hexsym.f90
added support for g95
2004-05-06 13:06:16 +00:00
hinit0.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
hinit1.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
init_at_1.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
init_ns.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
init_paw_1.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
init_paw_2.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
init_pool.f90
First clean-up of the parrallelism.
2004-06-21 10:12:52 +00:00
init_run.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
init_us_1.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
init_us_2.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
init_vloc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
input.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
interpolate.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
io_pot.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
ions.f90
More module cleanup : pwcom no longer called in PW/
2004-01-24 15:43:09 +00:00
irrek.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
iweights.f90
Bug fix: non-collinear code was not working with insulators and nbnd > nelec/2.
2004-04-19 08:13:28 +00:00
kpoint_grid.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
lchk_tauxk.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Updated functionals and installation mechanisms, ready for addition
2004-05-14 12:55:23 +00:00
make_pointlists.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
memory.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
mix_pot.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
mix_rho.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
mode_group.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
move_ions.f90
Cleanup of the molecular dynamics routines. Some debug messages removed. Some duplicated variables (fixatom and if_pos) removed from pwcom (already present in ions_base). A logical variable lfixatom added in control_flags. The output of a molecular dynamics run has been slightlychanged to be (hopefully) clearer.
2004-06-11 16:53:16 +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
new_ns.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
newd.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
noncol.f90
More uspp variables rearrangement (beware undesired side effects!)
2004-06-08 20:00:04 +00:00
ns_adj.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
openfil.f90
io_base : added read and write of jchi and jjj (ADC)
2004-06-14 15:22:24 +00:00
ortho.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
orthoatwfc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
output_tau.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
para.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
paw.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
potinit.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
print_clock_pw.f90
More USPP variables moving around
2004-06-01 21:22:19 +00:00
psymrho.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
punch.f90
io_base : added read and write of jchi and jjj (ADC)
2004-06-14 15:22:24 +00:00
pw_gemm.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
pwcom.f90
Removed references (now everywhere) to module basis for those variables already in module ions_base.
2004-06-14 07:30:47 +00:00
pwscf.f90
First clean-up of the parrallelism.
2004-06-21 10:12:52 +00:00
q_points.f90
cpmd2upf was yielding incorrect DFT if converting BLYP PPs
2004-06-14 17:15:48 +00:00
qvan2.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
rdiaghg.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
read_conf_from_file.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
read_file.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
read_ncpp.f90
Part of the variables for ultrasoft pseudopotentials have been moved to a
2004-05-26 11:04:07 +00:00
read_pseudo.f90
more pseudopotential cleanup
2004-04-27 13:44:55 +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
More USPP_related variables moved to Modules/uspp.f90
2004-05-31 17:55:33 +00:00
readvan.f90
More USPP_related variables moved to Modules/uspp.f90
2004-05-31 17:55:33 +00:00
regterg.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
remove_atomic_rho.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
reset_k_points.f90
PW, Gamma and NEB are now unified.
2003-12-10 14:57:07 +00:00
restart.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
restart_from_file.f90
the new punch routine, which writes on the .save file (instead of .pun),
2004-05-07 17:21:24 +00:00
restart_in_electrons.f90
io_base : added read and write of jchi and jjj (ADC)
2004-06-14 15:22:24 +00:00
restart_in_ions.f90
24 May 2004 density/potential mixing procedure in presence of an electric
2004-05-24 16:00:40 +00:00
rgen.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
rotate_wfc_gamma.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
More USPP_related variables moved to Modules/uspp.f90
2004-05-31 17:55:33 +00:00
s_axis_to_ca.f90
Cleanup: integer conversion to real performed with "dble" everywhere
2004-04-03 13:24:17 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
scala_cdiag.f90
Compilation fixes
2004-06-10 17:19:58 +00:00
scala_cdiaghg.f90
Compilation fixes
2004-06-10 17:19:58 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
References to brilz replaced everywhere by cell_base.
2004-04-02 10:30:15 +00:00
set_hubbard_l.f90
minor changes in LDA+U and formatting
2003-02-25 13:43:33 +00:00
set_kplusb.f90
Changes in pw to calculate the Raman tensor via the 2n+1 theorem.
2004-05-25 14:22:43 +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
Merged noncolinear and colinear symmetries (routines sgama, irrek).
2004-05-21 16:19:20 +00:00
set_rhoc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
set_vrs.f90
more noncolinear merge
2004-05-13 20:50:14 +00:00
setlocal.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
sgam_at_mag.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
sgam_ph.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
sgama.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
sph_ind.f90
Small changes. (a double return in ylmr2 and the error message in sph_ind).
2004-06-04 16:05:57 +00:00
spinor.f90
Added licence to the new routines and other small changes.
2004-05-03 08:31:38 +00:00
startup.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
stop_pw.f90
the new punch routine, which writes on the .save file (instead of .pun),
2004-05-07 17:21:24 +00:00
stres_cc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
stres_har.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
stres_hub.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
stres_knl.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
stres_loc.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
stres_us.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
stress.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
struct_fact.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
sum_band.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
symtns.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
symvect.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
symz.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
tabd.f90
Part of the variables for ultrasoft pseudopotentials have been moved to a
2004-05-26 11:04:07 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
updathes.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
upf_to_internal.f90
More USPP_related variables moved to Modules/uspp.f90
2004-05-31 17:55:33 +00:00
usnldiag.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
v_of_rho.f90
Fixed a couple of ambiguities:
2004-06-11 07:48:24 +00:00
vcsmd.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
vcsubs.f90
small fix on some formats (1x in place of x) [Gerardo]
2004-05-06 11:00:16 +00:00
vhpsi.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
vloc_of_g.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
vloc_psi.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +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
Cleanup: integer conversion to real performed with "dble" everywhere
2004-04-03 13:24:17 +00:00
w1gauss.f90
Cleanup: integer conversion to real performed with "dble" everywhere
2004-04-03 13:24:17 +00:00
wfcinit.f90
Machine-dependent definitions are now contained in two different files (both in /include):
2004-06-25 17:25:37 +00:00
wgauss.f90
Cleanup: integer conversion to real performed with "dble" everywhere
2004-04-03 13:24:17 +00:00
write_config_to_file.f90
the new punch routine, which writes on the .save file (instead of .pun),
2004-05-07 17:21:24 +00:00
write_ns.f90
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
2004-06-12 13:44:18 +00:00
wsweight.f90
Cleanup: integer conversion to real performed with "dble" everywhere
2004-04-03 13:24:17 +00:00