.. |
Makefile
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
atoms_type.f90
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- static arrays dimensioned with natx removed
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2006-03-24 18:51:06 +00:00 |
berryion.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
bforceion.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
cg.f90
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wraper.f90 was actually already unused
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2009-04-05 08:47:35 +00:00 |
cg_sub.f90
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Internal name of variable outdir in CP is now tmp_dir like in PWscf.
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2009-11-11 19:10:53 +00:00 |
cglib.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
chargedensity.f90
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Bug in read_rho for spin-polarized case - courtesy by Andrea Ferretti
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2009-12-09 16:53:08 +00:00 |
compute_fes_grads.f90
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Metadynamics: first set of routines and variables removed
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2010-02-05 17:17:26 +00:00 |
compute_scf.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
cp_autopilot.f90
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Bug fixes and output cleanup for cp.x autopilot
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2009-12-09 15:41:54 +00:00 |
cp_emass.f90
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- some verbosity issues fixed
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2009-08-30 09:33:57 +00:00 |
cp_fpmd.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
cp_interfaces.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
cp_restart.f90
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- empty states minimization removed from CP,
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2009-11-21 17:14:58 +00:00 |
cplib.f90
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More minor cleanup
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2009-11-17 13:41:14 +00:00 |
cplib_meta.f90
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variables ortho_para and use_task_group moved from control_flags to
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2009-11-09 16:07:19 +00:00 |
cpr.f90
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- eigenvalues cannot be computed diagonalizing lambda
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2009-12-06 15:27:48 +00:00 |
cpr_mod.f90
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- change to avoid passing unallocated parameters (some compiler may complain)
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2009-11-12 17:51:19 +00:00 |
cprstart.f90
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Metadynamics: first set of routines and variables removed
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2010-02-05 17:17:26 +00:00 |
cprsub.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
dealloc.f90
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- variable qradb is used only inside pseudopot_sub subroutines,
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2009-11-14 13:08:25 +00:00 |
dforceb.f90
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- Explicit MPI_XXXX calls substituted by calls to "mp" wrappers.
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2009-01-12 17:25:16 +00:00 |
efermi.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
efield.f90
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*** empty log message ***
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2008-05-15 15:06:05 +00:00 |
eigs0.f90
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Bug in read_rho for spin-polarized case - courtesy by Andrea Ferretti
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2009-12-09 16:53:08 +00:00 |
electrons.f90
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- empty states minimization removed from CP,
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2009-11-21 17:14:58 +00:00 |
ensemble_dft.f90
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Bug corrected for cg and ensemble dft calculations.
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2008-06-27 10:45:32 +00:00 |
entropy.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
exch_corr.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
fft.f90
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variables ortho_para and use_task_group moved from control_flags to
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2009-11-09 16:07:19 +00:00 |
forces.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
fpmdpp.f90
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Added check on existence of data file
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2009-11-20 18:22:39 +00:00 |
fromscra.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
gradrho.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
gtable.f90
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- Explicit MPI_XXXX calls substituted by calls to "mp" wrappers.
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2009-01-12 17:25:16 +00:00 |
init.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
init_run.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
inner_loop_cold.f90
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Internal name of variable outdir in CP is now tmp_dir like in PWscf.
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2009-11-11 19:10:53 +00:00 |
input.f90
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Metadynamics: first set of routines and variables removed
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2010-02-05 17:17:26 +00:00 |
ions_positions.f90
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- FPMD/CP merging of ions dynamics
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2008-08-03 19:04:09 +00:00 |
ksstates.f90
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- empty states minimization removed from CP,
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2009-11-21 17:14:58 +00:00 |
main_loops.f90
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Metadynamics: first set of routines and variables removed
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2010-02-05 17:17:26 +00:00 |
mainvar.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
make.depend
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Bug in read_rho for spin-polarized case - courtesy by Andrea Ferretti
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2009-12-09 16:53:08 +00:00 |
metaxc.f90
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elimination from CPV/metaxc.f90 of code non-specific parts that have been
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2007-02-14 08:51:32 +00:00 |
modules.f90
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- variable qradb is used only inside pseudopot_sub subroutines,
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2009-11-14 13:08:25 +00:00 |
move_electrons.f90
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variables ortho_para and use_task_group moved from control_flags to
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2009-11-09 16:07:19 +00:00 |
nl_base.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
nlcc.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
ortho.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
ortho_base.f90
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variables ortho_para and use_task_group moved from control_flags to
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2009-11-09 16:07:19 +00:00 |
path_routines.f90
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cp.x no longer compiling: cryst_to_car was missing. Moved from PW/ to flib/
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2009-11-17 13:08:14 +00:00 |
phasefactor.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
polarization.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
potentials.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
pres_ai_mod.f90
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Variables read in module pres_ai_mod have been added to input_parameters:
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2006-12-12 15:35:11 +00:00 |
print_out.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
problem_size.f90
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- empty states minimization removed from CP,
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2009-11-21 17:14:58 +00:00 |
pseudo_base.f90
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- obsolete subroutines removed
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2009-09-08 15:58:48 +00:00 |
pseudopot.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
pseudopot_sub.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
qmatrixd.f90
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- Explicit MPI_XXXX calls substituted by calls to "mp" wrappers.
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2009-01-12 17:25:16 +00:00 |
qqberry.f90
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- pseudo_type/grid nullification still was giving problem (gfortran).
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2008-04-27 08:58:55 +00:00 |
read_pseudo.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
restart.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
restart_sub.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
runcp.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
spline.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
stop_run.f90
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Merge of initial printout between CP and PW: CPV/environment.f90 moved
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2009-11-06 17:28:19 +00:00 |
stress.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
vanderwaals.f90
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- forgotten commit, mostly clean-ups
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2008-07-26 08:20:13 +00:00 |
vol_clu.f90
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- fix of a wrong recent clenup
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2009-08-04 14:43:16 +00:00 |
wannier.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
wannier_base.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
wave.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
wave_types.f90
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Cleanup of fixed parameters - only a few remains in parameters.f90.
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2009-02-19 09:49:49 +00:00 |
wf.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |