quantum-espresso/PH
giannozz 61652e343c Objects in PW, PH, CPV are stored into libraries (libpw.a, libph.a,
libcp.a respectively), used to load the executables. This removes
the need to specify all needed objects in many different makefiles.
Works with 95, ifort, xlf. Please let me know if there are problems
with more exotic or lousy compilers.

A few minor things fixed as well.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3428 c92efa57-630b-4861-b058-cf58834340f0
2006-10-03 19:26:15 +00:00
..
Makefile Objects in PW, PH, CPV are stored into libraries (libpw.a, libph.a, 2006-10-03 19:26:15 +00:00
add_dkmds.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
add_for_charges.f90 Excessive usage of memory fixed 2006-03-08 11:18:15 +00:00
add_zstar_ue.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
add_zstar_ue_us.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
addcore.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
adddvepsi_us.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
adddvscf.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
addnlcc.f90 More small changes to funct module, some clean up of the EXX part. 2005-11-04 11:47:42 +00:00
addnlcc_zstar_eu_us.f90 More small changes to funct module, some clean up of the EXX part. 2005-11-04 11:47:42 +00:00
addusdbec.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
addusddens.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
addusddense.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
addusdynmat.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
addusldos.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
allocate_part.f90 Machine-dependent definitions are now contained in two different files (both in /include): 2004-06-25 17:25:37 +00:00
allocate_phq.f90 Raman calculation with 2nd-order response by Michele Lazzeri added 2005-03-04 17:46:02 +00:00
bcast_ph_input.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
bcast_ph_input1.f90 Machine-dependent definitions are now contained in two different files (both in /include): 2004-06-25 17:25:37 +00:00
ccg_psi.f90 Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +00:00
cch_psi_all.f90 Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +00:00
cft_wave.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
cg_psi.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
cgsolve_all.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
ch_psi_all.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
chi_test.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
clinear.f90 Electron-phonon calculation using Malgorzata's technique 2005-12-28 10:55:17 +00:00
close_phq.f90 - Electron-phonon calculation with the new (Malgorzata) algorithm should 2006-04-05 13:15:37 +00:00
compute_alphasum.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
compute_becalp.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
compute_becsum.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
compute_drhous.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
compute_dvloc.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
compute_nldyn.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
compute_qdipol.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
compute_weight.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
d2ionq.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
d2mxc.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
davcio_drho.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
deallocate_part.f90 Added copyright notice where missing (please check) 2005-03-21 14:01:19 +00:00
deallocate_phq.f90 Added copyright notice where missing (please check) 2005-03-21 14:01:19 +00:00
dgcxc.f90 Modules/functionals.f90 modified. 2005-11-02 15:42:06 +00:00
dgcxc_spin.f90 Modules/functionals.f90 modified. 2005-11-02 15:42:06 +00:00
dgradcorr.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dhdrhopsi.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dielec.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dielec_test.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
drho.f90 Bug fix: The recover of a phonon calculation with ldisp=.true. was 2006-07-06 14:56:53 +00:00
drhodv.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
drhodvloc.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
drhodvnl.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
drhodvus.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dv_of_drho.f90 More small changes to funct module, some clean up of the EXX part. 2005-11-04 11:47:42 +00:00
dvanqq.f90 Bug fix: The recover of a phonon calculation with ldisp=.true. was 2006-07-06 14:56:53 +00:00
dvkb3.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dvpsi_e.f90 Restart with new format works (sort of: charge density and wavefunctions 2006-01-30 16:17:30 +00:00
dvpsi_e2.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dvqpsi_us.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dvqpsi_us_only.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dyndia.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dynmat0.f90 Cleanup 2005-12-21 11:20:28 +00:00
dynmat_us.f90 1) v_of_rho has been rearranged in order to reduce the number of FFTs per step. 2006-07-07 20:16:45 +00:00
dynmatcc.f90 1) v_of_rho has been rearranged in order to reduce the number of FFTs per step. 2006-07-07 20:16:45 +00:00
dynmatrix.f90 harmless out-of-bound error 2006-08-24 17:36:14 +00:00
ef_shift.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
el_opt.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
elph.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
elphon.f90 - Electron-phonon symmetrization simplified (but still a mess) 2006-06-14 14:15:24 +00:00
find_equiv_sites.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
find_mode_sym.f90 harmless out-of-bound error 2006-08-24 17:36:14 +00:00
generate_dynamical_matrix_c.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
gmressolve_all.f90 Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +00:00
h_psiq.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
hdiag.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
incdrhoscf.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
incdrhous.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
io_pattern.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
localdos.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
make.depend There is no reason to generate dependencies every time. Files 2006-09-21 17:49:53 +00:00
newdq.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
openfilq.f90 - Electron-phonon calculation with the new (Malgorzata) algorithm should 2006-04-05 13:15:37 +00:00
pcgreen.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
phcom.f90 Now bands.x can classify the bands according to the irreducible 2006-08-22 17:01:13 +00:00
phonon.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
phq_init.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
phq_readin.f90 modenum should not be read again by the phonon code 2006-09-07 17:16:31 +00:00
phq_recover.f90 Bug fix: int1 and int2 are needed to recover the US phonon calculation. 2006-07-06 14:48:52 +00:00
phq_setup.f90 Now bands.x can classify the bands according to the irreducible 2006-08-22 17:01:13 +00:00
phq_summary.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
phqscf.f90 1) phonon: workaround for serious bug in parallel execution 2006-01-13 15:38:56 +00:00
polariz.f90 Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +00:00
print_clock_ph.f90 More minor changes to restart, cpu time printout 2005-04-21 14:37:21 +00:00
psidspsi.f90 error (..., -1) => infomsg 2005-08-30 16:27:58 +00:00
psymdvscf.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
psyme.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
psyme2.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
punch_plot_e.f90 The phonon code was writing garbage on output under "Title" 2006-04-06 12:13:54 +00:00
punch_plot_ph.f90 The phonon code was writing garbage on output under "Title" 2006-04-06 12:13:54 +00:00
q2qstar_ph.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
q_points.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
raman.f90 more explicit error messages 2006-06-06 15:42:55 +00:00
raman_mat.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
ramanm.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
random_matrix.f90 All functions used to generate random number collected in a single module. Added two routines 2006-01-25 04:24:49 +00:00
rotate_and_add_dyn.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
set_asr_c.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
set_drhoc.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
set_dvscf.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
set_irr.f90 All functions used to generate random number collected in a single module. Added two routines 2006-01-25 04:24:49 +00:00
set_irr_mode.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
set_irr_nosym.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
setlocq.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
setqmod.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
setup_dgc.f90 1) v_of_rho has been rearranged in order to reduce the number of FFTs per step. 2006-07-07 20:16:45 +00:00
smallgq.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
solve_e.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
solve_e2.f90 - Miscellaneous fixes of compilation errors left after last changes 2006-01-15 20:18:53 +00:00
solve_e_fpol.f90 Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +00:00
solve_e_nscf.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
solve_linter.f90 The new variable lgamma_gamma has been introduced in ph.x. 2006-07-26 15:02:37 +00:00
star_q.f90 Small bug fix. Sometimes -k points were used with domag=.false.. 2006-08-09 12:07:32 +00:00
stop_ph.f90 iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used 2004-12-10 15:20:46 +00:00
sym_and_write_zue.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
sym_def.f90 Cleanup 2005-12-21 11:20:28 +00:00
sym_elop.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
symdvscf.f90 Cleanup 2005-12-21 11:20:28 +00:00
symdyn_munu.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
symdynph_gq.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
syme.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
syme2.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
symm.f90 - Electron-phonon symmetrization simplified (but still a mess) 2006-06-14 14:15:24 +00:00
symram.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
tra_write_matrix.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
trntnsc.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
trntnsr_3.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
write_dyn_on_file.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
write_epsilon_and_zeu.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
write_matrix.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
write_ramtns.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
zstar_eu.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
zstar_eu_us.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00