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Makefile
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All makefiles simplified, make.depend updated, fixed an inconsistency in
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2010-02-09 15:21:51 +00:00 |
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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 |
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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 |
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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 |
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cg.f90
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wraper.f90 was actually already unused
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2009-04-05 08:47:35 +00:00 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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cp_emass.f90
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- some verbosity issues fixed
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2009-08-30 09:33:57 +00:00 |
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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 |
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cp_interfaces.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
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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 |
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cplib.f90
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More minor cleanup
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2009-11-17 13:41:14 +00:00 |
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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 |
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cpr.f90
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- eigenvalues cannot be computed diagonalizing lambda
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2009-12-06 15:27:48 +00:00 |
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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 |
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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 |
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cprsub.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
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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 |
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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 |
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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 |
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efield.f90
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*** empty log message ***
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2008-05-15 15:06:05 +00:00 |
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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 |
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electrons.f90
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- empty states minimization removed from CP,
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2009-11-21 17:14:58 +00:00 |
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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 |
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entropy.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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exch_corr.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
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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 |
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forces.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
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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 |
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fromscra.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
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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 |
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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 |
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init.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
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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 |
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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 |
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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 |
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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 |
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ksstates.f90
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- empty states minimization removed from CP,
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2009-11-21 17:14:58 +00:00 |
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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 |
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mainvar.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
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make.depend
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All makefiles simplified, make.depend updated, fixed an inconsistency in
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2010-02-09 15:21:51 +00:00 |
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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 |
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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 |
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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 |
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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 |
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nlcc.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
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ortho.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
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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 |
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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 |
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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 |
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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 |
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potentials.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
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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 |
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print_out.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
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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 |
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pseudo_base.f90
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- obsolete subroutines removed
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2009-09-08 15:58:48 +00:00 |
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pseudopot.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
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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 |
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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 |
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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 |
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read_pseudo.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
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restart.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
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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 |
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runcp.f90
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- more cleanups of old fpmd stuff
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2009-11-22 08:26:59 +00:00 |
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spline.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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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 |
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stress.f90
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- romoving old stuff
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2009-11-25 23:18:01 +00:00 |
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vanderwaals.f90
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- forgotten commit, mostly clean-ups
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2008-07-26 08:20:13 +00:00 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
c22a10cc2f