quantum-espresso/Modules
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
atom.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
autopilot.f90 - confusing scradir substituted everywhere with outdir, 2006-08-12 12:27:56 +00:00
basic_algebra_routines.f90 Cleanup. C.S. 2005-12-21 20:24:16 +00:00
berry_phase.f90 - init_pool moved to mp_global (it is now used by CP too) 2006-03-26 17:14:44 +00:00
bfgs_module.f90 Clean-up of bfgs-related stuff. C.S. 2006-09-12 14:06:31 +00:00
cell_base.f90 Cleanup in constants: factem => 1/k_boltzmann 2006-09-12 17:11:36 +00:00
check_stop.f90 More installation cleanup (or maybe messup): "configure" should now 2006-09-21 15:23:47 +00:00
clocks.f90 Header updated. C.S 2006-09-12 14:07:53 +00:00
constants.f90 Cleanup in constants: factem => 1/k_boltzmann 2006-09-12 17:11:36 +00:00
constraints_module.f90 - fixed a bug in FPMD + constrained dynamics. 2006-09-11 11:06:42 +00:00
control_flags.f90 - new verbosity option: verbosity = 'default+projwfc' 2006-08-11 15:39:37 +00:00
descriptors.f90 - FPMD/CP ortho subroutines merged as much as possible. 2006-01-10 14:04:13 +00:00
electrons_base.f90 - more subroutines taken out from modules 2006-08-11 08:29:52 +00:00
energies.f90 - cleanups 2006-07-27 13:01:59 +00:00
fft_base.f90 - minor clean-ups, commented out lines removed 2006-08-29 09:36:54 +00:00
fft_scalar.f90 More installation cleanup (or maybe messup): "configure" should now 2006-09-21 15:23:47 +00:00
fft_types.f90 - changes needed for blue gene porting 2006-03-05 23:02:36 +00:00
functionals.f90 B3LYP -> B3LP otherwise dft parsing find a conflict with LYP . 2005-12-20 11:38:19 +00:00
griddim.f90 - important bug fix, core correction in CP was not properly set, 2006-04-02 21:29:28 +00:00
input_parameters.f90 Input variable tqr meved from control namelist to electrons namelist. 2006-09-15 18:35:28 +00:00
io_files.f90 pw2wannier90 changed so as to conform to new definition of wannier.nnkp file. 2006-03-22 17:13:21 +00:00
io_global.f90 - Cray XD1 workaround for large communication 2006-05-03 14:19:57 +00:00
ions_base.f90 Cleanup in constants: factem => 1/k_boltzmann 2006-09-12 17:11:36 +00:00
ions_nose.f90 Cleanup in constants: factem => 1/k_boltzmann 2006-09-12 17:11:36 +00:00
kind.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
metadyn_base.f90 Clean-up of routines used for meta-dynamics and for the calculation of 2006-09-12 18:28:57 +00:00
metadyn_io.f90 Cleanup of unused variables. C.S. 2006-06-22 13:21:17 +00:00
metadyn_vars.f90 Clean-up of routines used for meta-dynamics and for the calculation of 2006-09-12 18:28:57 +00:00
mp.f90 - Cray XD1 workaround for large communication 2006-05-03 14:19:57 +00:00
mp_global.f90 - Cray XD1 workaround for large communication 2006-05-03 14:19:57 +00:00
mp_wave.f90 - init_pool moved to mp_global (it is now used by CP too) 2006-03-26 17:14:44 +00:00
parallel_include.f90 - fix for serial compilation (MPI_COMM_WORLD not known) 2006-02-03 09:28:55 +00:00
parallel_types.f90 - FPMD/CP ortho subroutines merged as much as possible. 2006-01-10 14:04:13 +00:00
parameters.f90 Max number of k-points reset to its previous (and exceedingly large) value 2006-08-24 08:47:13 +00:00
parser.f90 Support for Mac OS-X (Intel) with g95 added in configure 2006-09-11 12:56:12 +00:00
path_base.f90 Clean-up of routines used for meta-dynamics and for the calculation of 2006-09-12 18:28:57 +00:00
path_formats.f90 NEB clean-up; fixed some bugs in the CP implementation. C.S. 2005-09-11 00:50:13 +00:00
path_io_routines.f90 Clean-up of routines used for meta-dynamics and for the calculation of 2006-09-12 18:28:57 +00:00
path_opt_routines.f90 neb&string: fixed a bug in the broyden algorithm (only for string). 2006-04-24 13:01:38 +00:00
path_reparametrisation.f90 neb&string: fixed a bug in the broyden algorithm (only for string). 2006-04-24 13:01:38 +00:00
path_variables.f90 Clean-up of routines used for meta-dynamics and for the calculation of 2006-09-12 18:28:57 +00:00
printout_base.f90 - init_pool moved to mp_global (it is now used by CP too) 2006-03-26 17:14:44 +00:00
pseudo_types.f90 oops, lloc is NOT written into UPF pseudopotentials... 2006-04-27 16:19:24 +00:00
pseudodata.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
ptoolkit.f90 Routines for parallel basic algebra used by the parallel eigensolver moved from 2006-09-12 20:54:09 +00:00
random_numbers.f90 Small bug fix. 2006-07-03 10:06:14 +00:00
read_cards.f90 Added a new constraint type (bennett projection). Code provided by Guido Roma. 2006-06-22 13:15:32 +00:00
read_namelists.f90 Input variable tqr meved from control namelist to electrons namelist. 2006-09-15 18:35:28 +00:00
read_upf.f90 oops, lloc is NOT written into UPF pseudopotentials... 2006-04-27 16:19:24 +00:00
read_uspp.f90 g95 doesn't like reading a character variable into a real variable 2006-09-12 12:55:30 +00:00
recvec.f90 - init_pool moved to mp_global (it is now used by CP too) 2006-03-26 17:14:44 +00:00
shmem_include.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
sic.f90 - static array substituted with dynamic array, to reduce 2006-03-23 18:00:12 +00:00
smallbox.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
splinelib.f90 New function splint_deriv: compute spline's first derivative. 2006-09-15 08:02:57 +00:00
stick_base.f90 Workaround for Pathscale compiler bug (by Paolo Cazzato) 2006-07-27 13:11:51 +00:00
task_groups.f90 - Cray XD1 workaround for large communication 2006-05-03 14:19:57 +00:00
timestep.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
uspp.f90 - memory usage of arrays qradb, dqrad reduced whenever the maximum number 2006-03-06 10:39:38 +00:00
version.f90 More installation cleanup (or maybe messup): "configure" should now 2006-09-21 15:23:47 +00:00
wannier.f90 small changes to pw -> wannier90 2006-04-26 07:38:22 +00:00
wave_base.f90 - removed the spin dimension from wave function in fpmd routines. 2006-07-17 09:15:34 +00:00
wavefunctions.f90 - removed the spin dimension from wave function in fpmd routines. 2006-07-17 09:15:34 +00:00
xml_io_base.f90 - In write counter, create_directory already perform check on 2006-09-19 10:51:52 +00:00