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Makefile
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Circular dependency removed (offending subroutine moved to PP/paw_postproc.f90)
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2009-06-15 07:54:05 +00:00 |
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add_shift_cc.f90
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- reduce substituted by mp_sum
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2008-04-12 16:12:49 +00:00 |
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add_shift_lc.f90
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- reduce substituted by mp_sum
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2008-04-12 16:12:49 +00:00 |
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add_shift_us.f90
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Other routines with unused variables, and removed old unused routines.
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2009-02-25 16:51:30 +00:00 |
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addusdens1d.f90
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- reduce substituted by mp_sum
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2008-04-12 16:12:49 +00:00 |
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atomic_wfc_nc_proj.f90
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Bug fix: problem with the generation of the atomic wavefunctions in the
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2008-09-22 09:28:44 +00:00 |
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average.f90
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Other routines with unused variables, and removed old unused routines.
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2009-02-25 16:51:30 +00:00 |
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bands.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
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cft.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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cgracsc.f90
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- reduce substituted by mp_sum
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2008-04-12 16:12:49 +00:00 |
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chdens.f90
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Serious bug in plotting code "pp.x" . All plots requiring Fourier space
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2009-06-25 13:16:39 +00:00 |
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compute_ppsi.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
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compute_sigma_avg.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
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cube.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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cubicspinsym.f90
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Common "symme" moved to a separate file; some cleanup. Symmetries of the
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2008-08-22 15:53:34 +00:00 |
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d_matrix_nc.f90
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Only one random number generator is used everywhere ("randy", which
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2008-11-05 20:25:20 +00:00 |
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d_matrix_so.f90
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Only one random number generator is used everywhere ("randy", which
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2008-11-05 20:25:20 +00:00 |
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dipole.f90
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- removing modules: pfft pffts para_const
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2008-01-05 19:27:35 +00:00 |
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do_initial_state.f90
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Misspells
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2009-02-13 12:12:36 +00:00 |
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do_shift_ew.f90
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Error message was referring to the wrong function name
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2009-06-29 15:59:53 +00:00 |
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dos.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
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dosg.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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elf.f90
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- celanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:10:45 +00:00 |
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epsilon.f90
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- reduce replaced by mp_sum
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2008-04-19 16:28:45 +00:00 |
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ggen1d.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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hexspinsym.f90
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Common "symme" moved to a separate file; some cleanup. Symmetries of the
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2008-08-22 15:53:34 +00:00 |
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initial_state.f90
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PP/initial_state.f90 code for caluclation of initial-state CLS fixed and
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2009-05-12 11:55:24 +00:00 |
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local_dos.f90
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plotnum=7 + pools.
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2008-05-15 13:18:11 +00:00 |
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local_dos1d.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
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local_dos_mag.f90
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Variable so(nt) removed: so(nt) -> upf(nt)%has_so.
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2008-05-15 12:58:11 +00:00 |
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make.depend
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Serious bug in plotting code "pp.x" . All plots requiring Fourier space
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2009-06-25 13:16:39 +00:00 |
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openfil_pp.f90
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Incorrect call fixed (courtesy of Javad)
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2007-02-14 17:02:32 +00:00 |
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paw_postproc.f90
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Unit of measure mismatch fixed, now it works, but requires ridiculous cutoff
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2009-06-15 12:28:08 +00:00 |
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plan_avg.f90
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Common "symme" moved to a separate file; some cleanup. Symmetries of the
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2008-08-22 15:53:34 +00:00 |
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plot_io.f90
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Dimension of subroutine array arguments changed to implicit (*), you cannot
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2009-06-12 15:37:08 +00:00 |
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plot_whole_cell.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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plotband.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
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plotproj.f90
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1) added compilation of epsilon.x by default. Maybe we should consider as
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2007-12-14 10:36:37 +00:00 |
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plotrho.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
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poormanwannier.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
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postproc.f90
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Added plot of all-electron valence charge for PAW, still undocumented it
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2009-06-12 15:38:03 +00:00 |
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projwfc.f90
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Small cleanup.
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2009-02-26 09:07:41 +00:00 |
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punch_plot.f90
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Misc problems
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2009-06-15 08:19:00 +00:00 |
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pw2casino.f90
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Minor change and suggestions by Karoly Nemeth about pw2casino
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2009-02-10 15:18:50 +00:00 |
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pw2gw.f90
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Misc problems
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2009-06-15 08:19:00 +00:00 |
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pw2wannier90.f90
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Only one random number generator is used everywhere ("randy", which
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2008-11-05 20:25:20 +00:00 |
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pw_export.f90
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- call to c_mkdir replaced with call to f_mkdir
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2009-04-05 07:54:40 +00:00 |
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qexml.f90
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- call to c_mkdir replaced with call to f_mkdir
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2009-04-05 07:54:40 +00:00 |
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smallgk.f90
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Now bands.x can classify the bands according to the irreducible
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2006-08-22 17:01:13 +00:00 |
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start_postproc.f90
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#ifdef __INTEL moved inside clib/stack.c .The C code used to be compiled
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2009-03-25 15:11:41 +00:00 |
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stm.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
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stop_pp.f90
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iuwfc => iunwfc
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2004-12-07 08:25:16 +00:00 |
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sumpdos.f90
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Other routines with unused variables, and removed old unused routines.
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2009-02-25 16:51:30 +00:00 |
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sym_band.f90
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More h_psi and s_psi cleanup and harmonization. There shouldn't be any
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2009-02-17 11:43:48 +00:00 |
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voronoy.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
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wannier_ham.f90
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Usage of real numbers as limits in a DO statement should be avoided
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2009-04-21 09:57:51 +00:00 |
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wannier_hamiltonians.f90
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Tabulators replaced by white spaces (they confuse some compilers).
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2009-02-17 14:51:24 +00:00 |
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wannier_plot.f90
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gfortran complains about length of lines (standard is 132) - do loop with
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2009-02-19 09:05:05 +00:00 |
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wannier_u_matrix.f90
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Tabulators replaced by white spaces (they confuse some compilers).
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2009-02-17 14:51:24 +00:00 |
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wannier_umatrix_subroutines.f
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new files and modifications needed to extract a TB hamiltonian in order to
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2009-02-12 08:07:11 +00:00 |
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wfdd.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
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work_function.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
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write_p_avg.f90
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- reduce replaced by mp_sum
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2008-04-19 16:28:45 +00:00 |
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xctest.f90
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Modules/functionals.f90 modified.
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2005-11-02 15:42:06 +00:00 |
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xsf.f90
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Minor partial cleanup. Many routines declared unused variables. Many others
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2009-02-25 15:58:53 +00:00 |
8b2e32d25e