.. |
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 |
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 |
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 |
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 |
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 |
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 |
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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Minor cleanup
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2011-02-04 11:12:39 +00:00 |
cglib.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
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 |
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_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 |
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 |
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 |
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 |
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 |
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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*** empty log message ***
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2011-03-10 17:02:24 +00:00 |
dealloc.f90
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Minor cleanup
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2011-02-13 14:38:50 +00:00 |
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 |
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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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 |
eigs0.f90
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- starting parallelization over bands
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2010-12-28 00:18:50 +00:00 |
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 |
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 |
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 |
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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- starting parallelization over bands
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2010-12-28 00:18:50 +00:00 |
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 |
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 |
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 |
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 |
gradrho.f90
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- more band parallelization
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2010-12-29 00:18:33 +00:00 |
gram.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
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 |
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 |
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 |
init_run.f90
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*** empty log message ***
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2011-03-10 17:02:24 +00:00 |
inner_loop_cold.f90
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Minor cleanup
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2011-02-04 11:12:39 +00:00 |
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 |
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 |
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 |
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 |
main_loops.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
mainvar.f90
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- cleanup
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2011-01-07 18:19:22 +00:00 |
make.depend
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*** empty log message ***
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2011-03-10 17:02:24 +00:00 |
makov_payne.f90
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Minor cleanup
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2011-01-18 20:07:00 +00:00 |
metaxc.f90
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More variable name harmonization: ngs=>ngms
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2010-11-25 22:03:05 +00:00 |
modules.f90
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Minor cleanup
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2011-02-13 14:38:50 +00:00 |
move_electrons.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
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 |
nl_base.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
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 |
ortho.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
ortho_base.f90
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- more band group parallelizations
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2011-02-27 18:14:13 +00:00 |
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 |
plugin_forces.f90
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In the past commit I have commited wrogly the patches files.
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2011-03-10 17:05:48 +00:00 |
plugin_initialization.f90
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change outdir with tmp_dir in plugin_initialization for CPV
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2011-03-11 15:09:27 +00:00 |
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 |
potentials.f90
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Minor cleanup
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2011-02-04 11:12:39 +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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'projwfc' option removed: it wasn't working for the spin-polarized case
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2010-10-07 14:58:55 +00:00 |
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 |
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 |
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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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 |
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 |
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 |
read_pseudo.f90
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- cleanup
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2011-01-09 23:07:03 +00:00 |
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 |
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 |
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 |
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 |
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 |
smallbox_gvec.f90
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Some more smallbox cleanup
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2011-02-03 17:14:47 +00:00 |
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 |
smallbox_subs.f90
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Some more smallbox cleanup
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2011-02-03 17:14:47 +00:00 |
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 |
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 |
stress.f90
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- more band parallelization
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2010-12-29 00:18:33 +00:00 |
vofrho.f90
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- more OpenMP parallelizations
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2011-02-27 18:14:57 +00:00 |
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 |
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 |
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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- cleanup
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2011-01-09 23:07:03 +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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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 |