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Makefile
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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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atom.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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autopilot.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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basic_algebra_routines.f90
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Axel: dim is a reserved word, use dim1 instead
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2007-01-08 11:49:09 +00:00 |
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berry_phase.f90
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Axel's patch: removal of unused variables, replacement of variable "index"
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2006-11-27 15:06:51 +00:00 |
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bfgs_module.f90
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Variable dim replaced everywhere. Fixed a bug in GDIIS (gdiis_iter was neither
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2007-01-15 15:44:08 +00:00 |
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cell_base.f90
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An update on check-in [4430]. New vc constraints are removed from CPV (due to
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2007-01-17 17:29:07 +00:00 |
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check_stop.f90
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More installation cleanup (or maybe messup): "configure" should now
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2006-09-21 15:23:47 +00:00 |
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clocks.f90
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Added processor id (mpime) for traceback in the parallel case. C.S.
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2006-11-14 20:10:34 +00:00 |
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constants.f90
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Axel: dim is a reserved word, use dim1 instead
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2007-01-08 11:49:09 +00:00 |
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constraints_module.f90
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Few improvments of image parallelization algorithm for NEB and SMD (both potential
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2006-12-11 14:51:54 +00:00 |
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control_flags.f90
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- clean ups, unused old FPMD subroutines and variables removed
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2006-12-31 11:05:37 +00:00 |
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descriptors.f90
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- further parallelization of ortho and distribution of
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2007-01-05 15:32:43 +00:00 |
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electrons_base.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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energies.f90
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More uninitialized variables
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2006-12-22 17:13:14 +00:00 |
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fft_base.f90
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- task groups, clean ups and bugs fix
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2006-12-17 23:11:16 +00:00 |
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fft_scalar.f90
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PGI doesn't like "END INTERFACE some_interface" and apparently the
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2006-10-04 14:56:35 +00:00 |
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fft_types.f90
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More patches by Axel: all occurrences of "index" replaced by "idx".
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2006-12-01 14:41:55 +00:00 |
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functionals.f90
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Fixed possible divide-by-zero error in the derivative of the
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2007-01-04 13:35:11 +00:00 |
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griddim.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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input_parameters.f90
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- clean ups, unused old FPMD subroutines and variables removed
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2006-12-31 11:05:37 +00:00 |
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io_files.f90
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Changements for faster treatment of berry's phase
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2006-12-15 23:05:28 +00:00 |
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io_global.f90
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- Cray XD1 workaround for large communication
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2006-05-03 14:19:57 +00:00 |
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ions_base.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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ions_nose.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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kind.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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make.depend
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- further parallelization of ortho and distribution of
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2007-01-05 15:32:43 +00:00 |
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metadyn_base.f90
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Few improvments of image parallelization algorithm for NEB and SMD (both potential
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2006-12-11 14:51:54 +00:00 |
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metadyn_io.f90
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Few improvments of image parallelization algorithm for NEB and SMD (both potential
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2006-12-11 14:51:54 +00:00 |
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metadyn_vars.f90
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Few improvments of image parallelization algorithm for NEB and SMD (both potential
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2006-12-11 14:51:54 +00:00 |
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mp.f90
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Added a routine for broadcast of rank 5 real arrays. C.S.
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2007-01-15 19:07:39 +00:00 |
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mp_global.f90
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- task groups, clean ups and bugs fix
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2006-12-17 23:11:16 +00:00 |
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mp_wave.f90
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- init_pool moved to mp_global (it is now used by CP too)
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2006-03-26 17:14:44 +00:00 |
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parallel_include.f90
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- fix for serial compilation (MPI_COMM_WORLD not known)
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2006-02-03 09:28:55 +00:00 |
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parallel_types.f90
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- syntax error, "empty" CONTAINS in a module
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2007-01-05 16:12:12 +00:00 |
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parameters.f90
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- task groups, clean ups and bugs fix
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2006-12-17 23:11:16 +00:00 |
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parser.f90
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Support for Mac OS-X (Intel) with g95 added in configure
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2006-09-11 12:56:12 +00:00 |
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path_base.f90
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Fixed a bug in image-parallelization of NEB/SMD. Variable dim renamed dim1.
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2007-01-20 00:02:00 +00:00 |
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path_formats.f90
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NEB clean-up; fixed some bugs in the CP implementation. C.S.
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2005-09-11 00:50:13 +00:00 |
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path_io_routines.f90
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Fixed a bug in image-parallelization of NEB/SMD. Variable dim renamed dim1.
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2007-01-20 00:02:00 +00:00 |
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path_opt_routines.f90
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Fixed a bug in image-parallelization of NEB/SMD. Variable dim renamed dim1.
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2007-01-20 00:02:00 +00:00 |
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path_reparametrisation.f90
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Fixed a bug in image-parallelization of NEB/SMD. Variable dim renamed dim1.
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2007-01-20 00:02:00 +00:00 |
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path_variables.f90
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Fixed a bug in image-parallelization of NEB/SMD. Variable dim renamed dim1.
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2007-01-20 00:02:00 +00:00 |
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printout_base.f90
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Axel's patch: removal of unused variables, replacement of variable "index"
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2006-11-27 15:06:51 +00:00 |
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pseudo_types.f90
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oops, lloc is NOT written into UPF pseudopotentials...
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2006-04-27 16:19:24 +00:00 |
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pseudodata.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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ptoolkit.f90
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- bug fix for scalar build
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2007-01-16 15:58:41 +00:00 |
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random_numbers.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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read_cards.f90
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- clean ups, unused old FPMD subroutines and variables removed
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2006-12-31 11:05:37 +00:00 |
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read_namelists.f90
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Infamous l_blocking and n_blocking varibales eliminated
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2006-12-30 15:46:11 +00:00 |
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read_upf.f90
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Axel's patch: removal of unused variables, replacement of variable "index"
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2006-11-27 15:06:51 +00:00 |
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read_uspp.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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recvec.f90
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- init_pool moved to mp_global (it is now used by CP too)
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2006-03-26 17:14:44 +00:00 |
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shmem_include.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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sic.f90
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- static array substituted with dynamic array, to reduce
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2006-03-23 18:00:12 +00:00 |
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smallbox.f90
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Axel's patch: removal of unused variables, replacement of variable "index"
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2006-11-27 15:06:51 +00:00 |
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splinelib.f90
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Axel's patch: removal of unused variables, replacement of variable "index"
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2006-11-27 15:06:51 +00:00 |
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stick_base.f90
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Axel's patch: removal of unused variables, replacement of variable "index"
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2006-11-27 15:06:51 +00:00 |
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task_groups.f90
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- more task groups clean ups
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2006-12-19 18:14:02 +00:00 |
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timestep.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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uspp.f90
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Symmetric indices of variable qfunc, holding the Q(r) functions in
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2006-11-03 12:21:28 +00:00 |
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version.f90
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Updated
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2006-10-25 16:28:58 +00:00 |
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wannier.f90
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Removed DOS end-of-line characters control-M :
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2006-11-22 08:37:29 +00:00 |
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wave_base.f90
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- task groups, clean ups and bugs fix
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2006-12-17 23:11:16 +00:00 |
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wavefunctions.f90
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Wavefunctions in pwscf are stored also for the noncollinear case
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2006-11-27 12:47:25 +00:00 |
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xml_io_base.f90
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Missing initialization of rho could lead to serious trouble
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2007-01-22 10:40:03 +00:00 |
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