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Makefile
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Cleanup: removal of unused variables, routines related to small boxes moved
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2011-02-08 09:34:15 +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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berry_phase.f90
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a) a module displaced from Modules/ to CPV/
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2011-01-04 18:45:48 +00:00 |
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berryion.f90
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Replicated piece of code moved to a small function
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2011-02-03 17:15:42 +00:00 |
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bforceion.f90
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Replicated piece of code moved to a small function
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2011-02-03 17:15:42 +00:00 |
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cell_nose.f90
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Module cell_nose separated from cell_base and moved to CPV/
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2011-02-04 11:16:35 +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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Minor cleanup
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2011-02-04 11:12:39 +00:00 |
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cglib.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
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chargedensity.f90
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- - communicator passed as imput parameter to xml I/O subroutines
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2011-02-27 18:12:37 +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_interfaces.f90
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Minor cleanup in xml data file, minor pw-cp merge (calculation of number
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2011-02-17 21:27:28 +00:00 |
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cp_restart.f90
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- communicator passed as imput parameter to xml I/O subroutines
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2011-02-27 18:13:30 +00:00 |
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cplib.f90
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Minor cleanup in xml data file, minor pw-cp merge (calculation of number
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2011-02-17 21:27:28 +00:00 |
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cplib_meta.f90
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Cleanup of "small boxes": most of the small-box stuff is contained in a few
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2011-02-03 16:29:37 +00:00 |
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cpr.f90
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Memory leak in CP with lda+U fixed
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2011-02-10 11:42:30 +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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- Introducing new mixed bands/g-vectors parallelization scheme.
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2010-12-27 08:57:52 +00:00 |
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dealloc.f90
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Minor cleanup
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2011-02-13 14:38:50 +00:00 |
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dforceb.f90
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Replicated piece of code moved to a small function
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2011-02-03 17:15:42 +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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Cleanup of "small boxes": most of the small-box stuff is contained in a few
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2011-02-03 16:29:37 +00:00 |
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eigs0.f90
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- starting parallelization over bands
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2010-12-28 00:18:50 +00:00 |
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electrons.f90
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- a lot of changes for band parallelization
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2011-01-03 09:37:27 +00:00 |
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electrons_nose.f90
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All nose-related modules displaced into CPV
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2011-02-04 11:35:47 +00:00 |
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ensemble_dft.f90
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More PW-CP variable-name unification:
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2010-10-13 18:28:46 +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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- starting parallelization over bands
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2010-12-28 00:18:50 +00:00 |
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fft.f90
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Cleanup of "small boxes": most of the small-box stuff is contained in a few
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2011-02-03 16:29:37 +00:00 |
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forces.f90
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- task groups variables moved inside fft_type
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2011-01-23 18:12:50 +00:00 |
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fpmdpp.f90
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make.depend updated; fixed mpi initialization in (seldom-used) xctest.f90
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2011-01-23 16:14:41 +00:00 |
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fromscra.f90
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Cleanup: removal of unused variables, routines related to small boxes moved
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2011-02-08 09:34:15 +00:00 |
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gradrho.f90
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- more band parallelization
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2010-12-29 00:18:33 +00:00 |
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gram.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
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gtable.f90
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a) a module displaced from Modules/ to CPV/
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2011-01-04 18:45:48 +00:00 |
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gvecw.f90
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- communicator passed as input to gvec init subs
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2011-01-16 08:47:47 +00:00 |
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init.f90
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- removing the dependency of "fft" modules from mp_global,
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2011-02-13 10:55:31 +00:00 |
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init_run.f90
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- transition version managing different output directories
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2011-03-08 15:09:40 +00:00 |
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inner_loop_cold.f90
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Minor cleanup
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2011-02-04 11:12:39 +00:00 |
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input.f90
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All nose-related modules displaced into CPV
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2011-02-04 11:35:47 +00:00 |
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ions_nose.f90
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All nose-related modules displaced into CPV
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2011-02-04 11:35:47 +00:00 |
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ions_positions.f90
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Funny error with debug flags: you cannot use the same variable twice as
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2010-04-07 16:45:01 +00:00 |
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ksstates.f90
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- communicator passed as imput parameter to xml I/O subroutines
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2011-02-27 18:13:30 +00:00 |
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main_loops.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
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mainvar.f90
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- cleanup
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2011-01-07 18:19:22 +00:00 |
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make.depend
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make.depend updated
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2011-03-07 10:22:30 +00:00 |
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makov_payne.f90
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Minor cleanup
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2011-01-18 20:07:00 +00:00 |
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metaxc.f90
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More variable name harmonization: ngs=>ngms
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2010-11-25 22:03:05 +00:00 |
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modules.f90
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Minor cleanup
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2011-02-13 14:38:50 +00:00 |
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move_electrons.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
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newd.f90
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Cleanup of "small boxes": most of the small-box stuff is contained in a few
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2011-02-03 16:29:37 +00:00 |
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nl_base.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
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nlcc.f90
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Cleanup of "small boxes": most of the small-box stuff is contained in a few
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2011-02-03 16:29:37 +00:00 |
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ortho.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
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ortho_base.f90
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- more band group parallelizations
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2011-02-27 18:14:13 +00:00 |
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phasefactor.f90
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Cleanup: removal of unused variables, routines related to small boxes moved
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2011-02-08 09:34:15 +00:00 |
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plugin_forces.f90
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missing intra_image_comm in plugin_froces for CP
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2011-01-12 11:13:19 +00:00 |
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plugin_initialization.f90
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same for cp
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2010-11-29 16:06:02 +00:00 |
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polarization.f90
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Cleanup: removal of unused variables, routines related to small boxes moved
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2011-02-08 09:34:15 +00:00 |
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potentials.f90
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Minor cleanup
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2011-02-04 11:12:39 +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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'projwfc' option removed: it wasn't working for the spin-polarized case
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2010-10-07 14:58:55 +00:00 |
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problem_size.f90
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Cleanup of "small boxes": most of the small-box stuff is contained in a few
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2011-02-03 16:29:37 +00:00 |
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pseudo_base.f90
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- array becp (replicated across tasks) is substituted by becp_dist (distributed across mpi task).
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2010-08-23 17:43:18 +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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Cleanup of "small boxes": most of the small-box stuff is contained in a few
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2011-02-03 16:29:37 +00:00 |
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qmatrixd.f90
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Primitive lattice vectors made uniform with PW: now they are stored, divided
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2011-01-31 14:47:40 +00:00 |
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qqberry.f90
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Replicated piece of code moved to a small function
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2011-02-03 17:15:42 +00:00 |
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read_pseudo.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
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restart.f90
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Cleanup: removal of unused variables, routines related to small boxes moved
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2011-02-08 09:34:15 +00:00 |
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restart_sub.f90
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Cleanup: removal of unused variables, routines related to small boxes moved
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2011-02-08 09:34:15 +00:00 |
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runcp.f90
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- task groups variables moved inside fft_type
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2011-01-23 18:12:50 +00:00 |
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smallbox.f90
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Cleanup: removal of unused variables, routines related to small boxes moved
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2011-02-08 09:34:15 +00:00 |
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smallbox_grid.f90
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Cleanup of "small boxes": most of the small-box stuff is contained in a few
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2011-02-03 16:29:37 +00:00 |
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smallbox_gvec.f90
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Some more smallbox cleanup
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2011-02-03 17:14:47 +00:00 |
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smallbox_lib.f90
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Cleanup: removal of unused variables, routines related to small boxes moved
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2011-02-08 09:34:15 +00:00 |
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smallbox_subs.f90
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Some more smallbox cleanup
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2011-02-03 17:14:47 +00:00 |
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spline.f90
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Cleanup: several occurences of '' replaced with ". Preliminary to cleanup of
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2010-12-06 11:46:32 +00:00 |
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stop_run.f90
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a) a module displaced from Modules/ to CPV/
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2011-01-04 18:45:48 +00:00 |
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stress.f90
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- more band parallelization
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2010-12-29 00:18:33 +00:00 |
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vofrho.f90
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- more OpenMP parallelizations
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2011-02-27 18:14:57 +00:00 |
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vol_clu.f90
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Primitive lattice vectors made uniform with PW: now they are stored, divided
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2011-01-31 14:47:40 +00:00 |
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wannier.f90
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Primitive lattice vectors made uniform with PW: now they are stored, divided
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2011-01-31 14:47:40 +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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- cleanup
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2011-01-09 23:07:03 +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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Cleanup of "small boxes": most of the small-box stuff is contained in a few
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2011-02-03 16:29:37 +00:00 |
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