Changeset 2909

Show
Ignore:
Timestamp:
05/12/07 11:38:46 (19 months ago)
Author:
lorenzen
Message:

Release preparations:

* Removal of the Texinfo manual. Instead, a PDF version of the Wiki manual

is included in the distribution.

* Updated the README and NEWS files.
* Small fix in the RPM generation concerning the documentation files.
* Updated the ChangeLog? (more to test svn2cl.sh, it will have to be done

once more anyway).

Location:
branches/2.1.x
Files:
13 removed
8 modified

Legend:

Unmodified
Added
Removed

  • branches/2.1.x/ChangeLog

    r2037 r2909  
    1 2006-02-16 23:22  appel 
    2  
    3         * AUTHORS: Adding current e-mail addresses. 
    4  
    5 2006-02-16 17:23  marques 
    6  
    7         * AUTHORS: updated list 
    8  
    9 2006-02-16 16:50  marques 
    10  
    11         * external_libs/: expokit/COPYING, expokit/Copyright, 
    12           metis-4.0/COPYING, metis-4.0/Copyright: Changed filenames from 
    13           Copyright COPYING 
    14  
    15 2006-02-16 16:49  marques 
    16  
    17         * configure.ac, liboct/Makefile.am, liboct/oct_f.c, 
    18           build/acx_metis.m4, src/Makefile.am, 
    19           external_libs/metis-4.0/Makefile.am: *) Metis is now only 
    20           compiled when needed *) changed version number to 2.0 *) octopus 
    21           fails a couple of tests in my machine. I will take a look before 
    22           committing 
    23  
    24 2006-02-16 16:02  appel 
    25  
    26         * liboct/: Makefile.am, oct_f.c: The header file metis.h was still 
    27           included as <metis/metis.h>. Now we use the one that we ship in 
    28           external_libs. 
    29  
    30 2006-02-16 12:37  appel 
    31  
    32         * debian/changelog: Switching from 1.99devel to 2.0 for the 
    33           upcoming release. 
    34  
    35 2006-02-16 12:36  appel 
    36  
    37         * configure.ac, build/acx_metis.m4: I forgot to treat the 
    38           HAVE_METIS properly, when I added the library to external_libs. 
    39           Now HAVE_METIS is enabled by default, but can be disabled with 
    40           --disable-metis at configure time. 
    41  
    42 2006-02-13 16:58  acastro 
    43  
    44         * src/spectrum.F90: Bug fixed.  The units were not properly handled 
    45           in the cross_section_tensor subroutine. 
    46  
    47 2006-02-12 23:13  acastro 
    48  
    49         * testsuite/rc_bugs/12-spin: Bug added.  Sorry, but I had to add 
    50           another bug, I think that it is important.  See the explanation 
    51           in the file. I will try to think about it the next days, to solve 
    52           it asap. 
    53  
    54 2006-02-09 23:38  appel 
    55  
    56         * src/liboct_parser.F90: o Adding the full filename to the 
    57           variables error message.  o Removing stdin stuff completely. 
    58  
    59 2006-02-09 23:32  appel 
    60  
    61         * Makefile.am: There was a line continuation \ missing. During make 
    62           install the share and testsuite directories have not been taken 
    63           into account. 
    64  
    65 2006-02-09 22:49  appel 
    66  
    67         * src/out.F90: The compilation failed when using --with-netcdf. The 
    68           netcdf module doesn't have _m. Too much Perl :) ... 
    69  
    70 2006-02-09 21:43  appel 
    71  
    72         * COPYING: Updating the top-level license file to account for 
    73           Expokit and Metis as 'external libraries'. I explicitely state in 
    74           the text, that both are _not_ GPL. 
    75  
    76           Please have a look if you agree with the style. 
    77  
    78 2006-02-09 21:39  appel 
    79  
    80         * Makefile.am, configure.ac, external_libs/Makefile.am, 
    81           external_libs/expokit/Copyright, 
    82           external_libs/expokit/Makefile.am, 
    83           external_libs/expokit/expokit.f90, src/Makefile.am, 
    84           external_libs/metis-4.0/Copyright, 
    85           external_libs/metis-4.0/Makefile.am, 
    86           external_libs/metis-4.0/balance.c, 
    87           external_libs/metis-4.0/bucketsort.c, 
    88           external_libs/metis-4.0/ccgraph.c, 
    89           external_libs/metis-4.0/coarsen.c, 
    90           external_libs/metis-4.0/compress.c, 
    91           external_libs/metis-4.0/debug.c, external_libs/metis-4.0/defs.h, 
    92           external_libs/metis-4.0/estmem.c, external_libs/metis-4.0/fm.c, 
    93           external_libs/metis-4.0/fortran.c, 
    94           external_libs/metis-4.0/frename.c, 
    95           external_libs/metis-4.0/graph.c, 
    96           external_libs/metis-4.0/initpart.c, 
    97           external_libs/metis-4.0/kmetis.c, 
    98           external_libs/metis-4.0/kvmetis.c, 
    99           external_libs/metis-4.0/kwayfm.c, 
    100           external_libs/metis-4.0/kwayrefine.c, 
    101           external_libs/metis-4.0/kwayvolfm.c, 
    102           external_libs/metis-4.0/kwayvolrefine.c, 
    103           external_libs/metis-4.0/macros.h, 
    104           external_libs/metis-4.0/match.c, 
    105           external_libs/metis-4.0/mbalance.c, 
    106           external_libs/metis-4.0/mbalance2.c, 
    107           external_libs/metis-4.0/mcoarsen.c, 
    108           external_libs/metis-4.0/memory.c, external_libs/metis-4.0/mesh.c, 
    109           external_libs/metis-4.0/meshpart.c, 
    110           external_libs/metis-4.0/metis.h, external_libs/metis-4.0/mfm.c, 
    111           external_libs/metis-4.0/mfm2.c, 
    112           external_libs/metis-4.0/mincover.c, 
    113           external_libs/metis-4.0/minitpart.c, 
    114           external_libs/metis-4.0/minitpart2.c, 
    115           external_libs/metis-4.0/mkmetis.c, 
    116           external_libs/metis-4.0/mkwayfmh.c, 
    117           external_libs/metis-4.0/mkwayrefine.c, 
    118           external_libs/metis-4.0/mmatch.c, external_libs/metis-4.0/mmd.c, 
    119           external_libs/metis-4.0/mpmetis.c, 
    120           external_libs/metis-4.0/mrefine.c, 
    121           external_libs/metis-4.0/mrefine2.c, 
    122           external_libs/metis-4.0/mutil.c, 
    123           external_libs/metis-4.0/myqsort.c, 
    124           external_libs/metis-4.0/ometis.c, 
    125           external_libs/metis-4.0/parmetis.c, 
    126           external_libs/metis-4.0/pmetis.c, 
    127           external_libs/metis-4.0/pqueue.c, 
    128           external_libs/metis-4.0/proto.h, 
    129           external_libs/metis-4.0/refine.c, 
    130           external_libs/metis-4.0/rename.h, 
    131           external_libs/metis-4.0/separator.c, 
    132           external_libs/metis-4.0/sfm.c, external_libs/metis-4.0/srefine.c, 
    133           external_libs/metis-4.0/stat.c, external_libs/metis-4.0/struct.h, 
    134           external_libs/metis-4.0/subdomains.c, 
    135           external_libs/metis-4.0/timing.c, external_libs/metis-4.0/util.c: 
    136           Both, Expokit and the Metis library are now declared as external 
    137           libraries. The build system has been adapted accordingly to 
    138           reflect this change. 
    139  
    140           The inclusion of Metis should now finally solve the build 
    141           problems, that people were encountering frequently with the MPI 
    142           executable. 
    143  
    144 2006-02-09 21:34  acastro 
    145  
    146         * src/: par_vec.F90, simul_box.F90: Bug fixed.  Just an absolute 
    147           value, but it created some awful problems.  I also put an ASSERT 
    148           in par_vec at a point where, if it had been before, it would have 
    149           saved me quite a few hours to debug. Maybe it is useful in the 
    150           future.  This bug was pointed out by some Carlo Camilloni. 
    151  
    152 2006-02-09 21:08  appel 
    153  
    154         * src/: atomic.F90, blas.F90, broad.F90, casida.F90, 
    155           centergeom.F90, cf.F90, cf_inc.F90, cross_section.F90, 
    156           crystal.F90, curv_briggs.F90, curv_gygi.F90, curv_modine.F90, 
    157           curvlinear.F90, datasets.F90, derivatives.F90, 
    158           derivatives_inc.F90, eigen.F90, eigen_arpack.F90, eigen_cg.F90, 
    159           eigen_evolution.F90, eigen_plan.F90, eigen_trlan.F90, epot.F90, 
    160           epot_inc.F90, f.F90, f_inc.F90, fftw2.F90, fftw3.F90, 
    161           geom_opt.F90, geometry.F90, global.F90, grid.F90, gs.F90, h.F90, 
    162           h_inc.F90, h_so.F90, hgh.F90, hs.F90, io.F90, lasers.F90, 
    163           lcao.F90, liboct.F90, liboct_parser.F90, libxc.F90, 
    164           linalg_adv.F90, linalg_basic.F90, linear_response.F90, 
    165           linear_response_inc.F90, logrid.F90, main.F90, math.F90, 
    166           mesh.F90, mesh_init.F90, mesh_lib.F90, messages.F90, mf.F90, 
    167           mf_inc.F90, mix.F90, mpi.F90, mpi_debug.F90, multicomm.F90, 
    168           multigrid.F90, nl_operator.F90, ode_solver.F90, 
    169           ode_solver_inc.F90, opt_control.F90, out.F90, out_inc.F90, 
    170           par_vec.F90, par_vec_inc.F90, pes.F90, pes_mask.F90, pes_rc.F90, 
    171           phonon_spectrum.F90, phonons.F90, poisson.F90, poisson1D.F90, 
    172           poisson2D.F90, poisson3D.F90, poisson_cg.F90, 
    173           poisson_corrections.F90, poisson_multigrid.F90, profiling.F90, 
    174           ps.F90, pulpo.F90, restart.F90, restart_inc.F90, root_solver.F90, 
    175           root_solver_inc.F90, rotational_strength.F90, run.F90, 
    176           scalar_mesh.F90, scf.F90, simul_box.F90, sparskit.F90, 
    177           sparskit_driver.F90, sparskit_inc.F90, specie.F90, spectrum.F90, 
    178           spline.F90, states.F90, states_inc.F90, states_kpoints.F90, 
    179           static_pol.F90, static_pol_lr.F90, stencil_cube.F90, 
    180           stencil_star.F90, stencil_starplus.F90, stencil_variational.F90, 
    181           string.F90, systm.F90, td.F90, td_calc.F90, td_exp.F90, 
    182           td_exp_split.F90, td_init.F90, td_rti.F90, td_write.F90, tm.F90, 
    183           units.F90, unocc.F90, v_ks.F90, v_ks_inc.F90, varinfo.F90, 
    184           wave_matching.F90, xc.F90, xc_KLI.F90, xc_OEP.F90, 
    185           xc_OEP_SIC.F90, xc_OEP_inc.F90, xc_OEP_x.F90, xc_axc.F90, 
    186           xc_functl.F90, xc_fxc.F90, xc_kxc.F90, xc_vxc.F90, 
    187           xyz_adjust.F90, xyz_file.F90, xyzanim.F90: The MVAPICH 
    188           implementation has serious I/O problems when one of the modules 
    189           in the code is called 'system'. Besides the problem with reading 
    190           from stdin, this was the main issue in Sahu's problem report. I 
    191           spent more than a day to figure this out. Also thanks again to 
    192           Sahu for his patience, while we were debugging this issue. 
    193  
    194           As there were some thoughts on this previously, I take the 
    195           opportunity to rename all modules according to 
    196  
    197            sample/sample_mod  ->  sample_m 
    198  
    199           Similarly all types have been converted according to 
    200  
    201            sample_type  ->  sample_t 
    202  
    203           This is actually Linux kernel convention :). 
    204  
    205 2006-02-09 19:13  appel 
    206  
    207         * src/liboct_parser.F90: Some MPI implementations, e.g. the MVAPICH 
    208           implementation for infiniband interconnects, do not forward stdin 
    209           to all compute nodes. This problem was initially reported by Sahu 
    210           on the octopus-users mailing list and recently showed up in a 
    211           second posting. 
    212  
    213           Reading the input file from stdin via e.g. 
    214  
    215            octopus < Na2 
    216  
    217           is now disabled. This caused too many confusions, even in the 
    218           serial case.  Often people already had a file with name 'inp' in 
    219           the working directory while trying to read the input via '<'. In 
    220           that case they got tricked by the precedence. 
    221  
    222           Octopus is now printing an error message, mentioning that reading 
    223           input from stdin is deprecated. 
    224  
    225 2006-02-06 17:18  acastro 
    226  
    227         * src/messages.F90: The write_warning and write_fatal were writing 
    228           an awkard "WARNING: From Node x", with no information afterwards, 
    229           from all the nodes.  Only node zero was really printing the 
    230           information. 
    231  
    232           Maybe in the future we should allow for a way for all non-head 
    233           nodes to write warning and fatal errors. 
    234  
    235 2006-02-05 12:33  acastro 
    236  
    237         * src/: atomic.F90, hgh.F90, tm.F90: Not really a bug fix.  The 
    238           problem with the Gadolinium bug report ("rc_bugs/07-Atomic_Gd") 
    239           is deep in the "egofv" routine, and I don't quite understand it. 
    240           What I have done is:  - for HGH pseudopotentials, the atomic 
    241           wavefunctions are not strictly neccesary, so if they are not 
    242           found, they are just not used. "egofv" does no longer kill the 
    243           program, but passes back an error flag and the program emits a 
    244           warning. The program can no longer do LCAO, but hopefully it 
    245           could converge. I could not try it in the case of Gadolinium, 
    246           because in any case the memory needed to get all the projectors 
    247           is so large that it does not fit in my laptop.   - for TM 
    248           pseudopotentials, the wavefunctions are needed to build the 
    249           projectors. So if the error is produced, the program stops. But 
    250           the error message emitted now is more friendly than before. 
    251  
    252           In any case, the proper solution to these issues will have to be 
    253           done for next release. 
    254  
    255 2006-02-04 20:22  acastro 
    256  
    257         * src/mesh_init.F90, testsuite/rc_bugs/08-TDELF_C2H4: Bug fixed. 
    258  
    259           This bug was the one reported in 08-TDELF_C2H4, which I remove. 
    260           The input of the file was not consistent any more, in any case. 
    261  
    262           The bug showed up when trying to write a dx file. There was a 
    263           seg-fault whent trying to pass the mesh to a cube, and I traced 
    264           it back to be some kind of round-off error in the point that I 
    265           changed in mesh_init. Probably it is a quick and dirty trick, but 
    266           we should leave a deeper clarification of the mesh module for 
    267           after the release. 
    268  
    269 2006-02-04 15:18  acastro 
    270  
    271         * src/poisson.F90: Bug fixed.  Some compilers (intel) seem to have 
    272           problems manipulating big 3D arrays. 
    273  
    274 2006-02-04 02:45  acastro 
    275  
    276         * src/out_inc.F90: Bug fixed.  Under some circumstances, this bug 
    277           stopped some parallel runs in marenostrum. I don't know why it 
    278           did not show up always. 
    279  
    280 2006-02-03 19:22  acastro 
    281  
    282         * src/systm.F90: The argument parallel_mask of system_init was 
    283           flagged as optional.  Then the internal argument parallel_mask_ 
    284           was set to be equal to parallel_mask when it was present, as 
    285           usual... except that then it was not used.  Instead of fixing 
    286           this, I noticed that system_init is only called once, and 
    287           parallel_mask was passed. So no need for an optional argument 
    288           there. 
    289  
    290 2006-02-03 18:27  acastro 
    291  
    292         * src/run.F90: (Possible) bug fixed: The variable mode (now 
    293           parallel_mask), used in the routine get_mode_parallelized (now 
    294           renamed to get_parallel_mask), was not initialized to 0. Some 
    295           compilers do not initialize variables to 0, so this could cause 
    296           trouble. 
    297  
    298 2006-02-02 19:20  acastro 
    299  
    300         * liboct_parser/: parse.c, parser_f.c: Bug fixed.  * 
    301           parse_block_string function (file parse.c): I think that it 
    302           should return an error code whatever is read is not a string. For 
    303           other case it is OK to convert, but not in this case.  * 
    304           parse_block_error (file parser_f.c): I am not sure about this 
    305           one.  I uncommented the exit function. I believe that the code 
    306           should stop if an error is encountered. But whoever commented 
    307           that code probably had reasons for it, so take a look, maybe I am 
    308           wrong. 
    309  
    310           Now the code seg-faulted if a non-string was found where a string 
    311           should be found. 
    312  
    313           For next release we have to improve the input error handling. 
    314  
    315 2006-01-31 12:11  acastro 
    316  
    317         * libxc/gga_lb.c, testsuite/rc_bugs/05-Na2_LB94_Casida: Bug fixed. 
    318           Removed the 05-Na2_LB94_Casida bug.  The LB94 is still rather 
    319           under suspiscion, in any case. 
    320  
    321           I don't know why the bug was there, in fact, it looked that the 
    322           code that I removed was there for a reason, but I could not trace 
    323           it down because it was there since the first revision... 
    324  
    325 2006-01-30 16:55  acastro 
    326  
    327         * doc/Makefile.am: Bug fixed.  The compilation of octopus depended 
    328           on the existence of emacs. I think this should not be the case, 
    329           so I changed the Makefile.am in order that if emacs is not found, 
    330           octopus.info is not attempted to be rebuilt.  This way the 
    331           compilation proceeds. 
    332  
    333 2006-01-26 13:25  appel 
    334  
    335         * liboct_parser/parser_f.c: Correcting cut'n paste error that was 
    336           found by Francesco Sottile. 
    337  
    338 2006-01-22 11:15  appel 
    339  
    340         * src/: casida.F90, run.F90: Removing unused variables. 
    341  
    342 2006-01-22 11:15  appel 
    343  
    344         * share/util/: Makefile.am, display_partitions.sh, 
    345           oct-display_partitions: Renaming display_partitions.sh to 
    346           oct-display_partitions and adding it to bin_SCRIPTS. 
    347  
    348 2006-01-14 07:44  acastro 
    349  
    350         * src/epot.F90: The code should stop if a magnetic field is 
    351           required, but the executable is the one that only has real 
     12007-05-07 06:59  lorenzen 
     2 
     3        * : Inserted forgotten word in variable description. 
     4 
     52007-05-04 16:18  lorenzen 
     6 
     7        * : Documented the DerivativesOrder variable. 
     8 
     92007-05-04 11:03  xavier 
     10 
     11        * : * Made fftw mandatory for 2.1, because the code doesn't compile 
     12          without it and it is required for a decent perfomance. 
     13 
     142007-03-23 18:35  xavier 
     15 
     16        * : * Changed the files to build a Debian package in 2.1.x, now the 
     17          the 
     18          octopus deb can be built on a clean debian etch (or ubuntu) 
     19          system 
     20          using gfortran. 
     21           
     22          * I had to disable the parallel binary, because the mpich 
     23          available in 
     24          Debian is still compiled with g77 and there are some problems 
     25          compiling octopus with openmpi. 
     26           
     27          * I moved the old debian/rules file to 
     28          debian/rules.other_compilers . 
     29 
     302007-03-23 18:17  xavier 
     31 
     32        * : More 2.1.x fixes: 
     33           
     34          * Modified the README file to point user to the wiki. 
     35          * A variable was defined twice when compiling with fftw2. 
     36 
     372007-03-23 15:48  xavier 
     38 
     39        * : * Backport of the NP/NP_PART fix to 2.1.x 
     40 
     412007-03-22 18:26  lorenzen 
     42 
     43        * : Revision of the RPM packaging infrastructure. The RPM spec file 
     44          now takes 
     45          care of building both serial and MPI executables. 
     46           
     47          The rpm target of the main Makefile.am has been polished a bit to 
     48          respect local build 
     49          settings, so being root is not necessarily required any more. 
     50           
     51          As soon as the 2.1 release will be done, I can take care of the 
     52          RPMs for 32 Bit and also 64 Bit. 
     53 
     542007-03-12 12:35  xavier 
     55 
     56        * : * Bugfix: The declaration of an argument was missing, as 
     57          pointed out 
     58          in ticket 77. This was fixed in trunk. 
     59           
     60          The other bug is already fixed in trunk and in the 2.1.x branch. 
     61           
     62          This fixes #77. 
     63 
     642007-02-25 21:27  acastro 
     65 
     66        * : Backport of the bug corrected in trunk. However, even if arpack 
     67          does 
     68          not crash, it does not produce very good numbers in 2.1.x (in 
     69          trunk, 
     70          however, it seems to work much better...) 
     71 
     722007-02-07 15:12  lorenzen 
     73 
     74        * : This is a backport of revisions r2647 and r2659 to 
     75          branches/2.1.x. 
     76          Those changes renamed the following macros of global.h: 
     77           
     78          DOUBLE -> REAL_DOUBLE 
     79          SINGLE -> REAL_SINGLE 
     80          PRECISION -> REAL_PRECISION 
     81           
     82          Again, the rationale was that -- unfortunately -- DOUBLE 
     83          PRECISION is still 
     84          a Fortran 90 reserved word and it is a bad idea to shadow any of 
     85          those by 
     86          a macro. This caused a compilation error with the mpif.h header 
     87          file. With 
     88          this commit I also revert the last change of Xavier in the 2.1.x 
     89          branch, which 
     90          circumvented the problem by undefining the macros but became 
     91          superfluous by 
     92          this more systematic renaming. 
     93 
     942007-02-06 19:06  xavier 
     95 
     96        * : * Compilation fix: DOUBLE and PRECISION have to be undefined 
     97          when 
     98          including mpif.h. 
     99 
     1002007-01-19 13:21  xavier 
     101 
     102        * : Some fixes before 2.1.0rc2 release: 
     103           
     104          * Fixed address of the pseudopotential generator in doc of the 
     105          species 
     106          block. 
     107          * The file variables.local wasn't being added to the tarball. 
     108          * Two tests used old variable names for pseudopotential species. 
     109 
     1102006-12-13 06:48  acastro 
     111 
     112        * : Backport of trunk bugfix 2623, to 2.1.x. 
     113 
     1142006-12-09 12:18  acastro 
     115 
     116        * : 2.1.x now also compiles if FFTW was not found at configure 
     117          time. 
     118 
     1192006-11-03 15:25  xavier 
     120 
     121        * : * Backport of the LCAO fixes. 
     122 
     1232006-10-27 18:23  acastro 
     124 
     125        * : Backport of some bugs found in branch but also present in 2.1.x 
     126 
     1272006-10-06 09:52  xavier 
     128 
     129        * : Backport of alberto's bugfixes (changesets 2454 and 2403). 
     130 
     1312006-10-06 09:15  athimm 
     132 
     133        * : Missing netcdf detection fragement. 
     134 
     1352006-10-06 09:08  athimm 
     136 
     137        * : Remove the gui from 2.1.x. 
     138           
     139          There are changes required that should change the variables' 
     140          interface 
     141          in octopus. Furthermore 2.1.x is release-ready other than the 
     142          gui. 
     143 
     1442006-10-06 09:06  athimm 
     145 
     146        * : Backports the netcdf detection fixes from trunk, fixes #39. 
     147 
     1482006-10-02 20:33  xavier 
     149 
     150        * : This error check can be made simpler. 
     151 
     1522006-10-02 16:37  xavier 
     153 
     154        * : This is the bug that appeared during the Benasque school. An 
     155          error 
     156          condition was not checked. 
     157 
     1582006-10-02 16:02  xavier 
     159 
     160        * : A newline at the end of this file was missing and this caused 
     161          problems 
     162          with autoconf. 
     163 
     1642006-09-13 13:58  acastro 
     165 
     166        * : [Porting one bug already fixed in trunk] 
     167           
     168          Bug fixed. 
     169           
     170          The Portland compiler did not like very long lines even if they 
     171          are 
     172          just comments, and did not like to mix, in an interface block, 
     173          the 
     174          function or subroutine interface definitions, with the module 
     175          procedure statements. I have looked up the standard, and I 
     176          believe 
     177          both things are legal, but in any case this way that compiler is 
     178          happy 
     179          and it does not harm the others compilers. 
     180 
     1812006-08-24 20:25  appel 
     182 
     183        * : A few more places where check_inp was still missing. 
     184 
     1852006-08-24 15:07  acastro 
     186 
     187        * : Bug fixed. 
     188           
     189          The problem with the 11-sic.test (never converging) was the use 
     190          of 
     191          density mixing, instead of potential mixing. The potential mixing 
     192          is 
     193          necessary when using orbital dependent xc functionals. 
     194 
     1952006-08-24 14:17  athimm 
     196 
     197        * : Default to not use python. 
     198           
     199          It is currently of little value and only adds to the release 
     200          process 
     201          (like forcing the release manager to perform gettext/varinfo.xml 
     202          steps). 
     203 
     2042006-08-24 14:14  athimm 
     205 
     206        * : Make branch point to the next release (candiate). 
     207 
     2082006-08-23 20:39  appel 
     209 
     210        * : Creating branch for 2.1.x development series. 
     211 
     2122006-08-23 20:36  appel 
     213 
     214        * : Preparing the first release candidate of octopus 2.1.0. Setting 
     215          version strings to 2.1.0rc1. 
     216 
     2172006-08-23 09:39  appel 
     218 
     219        * : Make the various output options public, so that they can be 
     220          used in other parts of the code for calls to X(output_function). 
     221 
     2222006-08-23 09:34  appel 
     223 
     224        * : This push_sub had the wrong routine name. 
     225 
     2262006-08-23 09:18  appel 
     227 
     228        * : When using UserDefinedStates as initial states for a time 
     229          propagation, octopus was always trying to read ground state 
     230          files from the tmp directory, even when all initial orbitals 
     231          were given as formula strings (I didn't think of this case, 
     232          when I was initially adding the UserDefinedStates feature). 
     233          Adding therefore a logical variable OnlyUserDefinedInitialStates 
     234          (with default "no"). If true, then one can use arbitrary 
     235          initial states for a time propagation (via UserDefinedStates) 
     236          and octopus is not attempting to read ground state orbitals. 
     237           
     238          This is e.g. useful to propagate coherent states, or gaussian 
     239          wave packets. Might also be useful for excerices on time 
     240          propagations in the summer school. 
     241 
     2422006-08-23 08:58  appel 
     243 
     244        * : Avoid division by zero, when scalar meshes with "zero" 
     245          points are created. 
     246 
     2472006-08-23 08:56  appel 
     248 
     249        * : A !%Variable header was missing for one of the variables. 
     250 
     2512006-08-23 08:55  appel 
     252 
     253        * : A check_inp and a pop_sub were missing. 
     254 
     2552006-08-22 10:16  xavier 
     256 
     257        * : Added a new variable, LinearSolverMaxTol, that is the maximum 
     258          tolerance that will be applied to the Linear Solver. 
     259 
     2602006-08-18 12:28  xavier 
     261 
     262        * : I forgot to change the filename in this test. 
     263 
     2642006-08-17 13:36  xavier 
     265 
     266        * : * Reverted from allocatables to pointers, because the code was 
     267          not F90 
     268          standard. 
     269 
     2702006-08-17 12:20  xavier 
     271 
     272        * : * Iterations are counted once, even if the apply the 
     273          hamiltonian twice 
     274          per iteration. 
     275 
     2762006-08-17 12:17  xavier 
     277 
     278        * : * Added GPL header. 
     279 
     2802006-08-17 11:52  xavier 
     281 
     282        * : * Renamed the output file of dynamic polarizability to 
     283          'linear/alpha'. 
     284 
     2852006-08-17 11:38  xavier 
     286 
     287        * : * In the nl_operator class, the arrays were defined as 
     288          pointers, i 
     289          changed the definition to allocatables, this gives the compiler 
     290          more 
     291          room for optimization. 
     292          * I had to change some code that relied on pointers to this 
     293          arrays. 
     294          Instead i used a pointer to the operators. 
     295           
     296          It would be nice if someone can review this changes, specially 
     297          for 
     298          mpi, i don't know if this code is checked by the testsuite. 
     299 
     3002006-08-17 10:17  appel 
     301 
     302        * : When adding multi-dataset lables to the input files yesterday I 
     303          forgot to change the directories in the *.test files that are 
     304          used for the matches. This fixes the failed periodic tests of 
     305          today. 
     306 
     3072006-08-17 09:50  acastro 
     308 
     309        * : Two *_inc.F90 files were missing from the noinst_HEADERS, 
     310          so that the package constructed by make dist was incomplete. 
     311 
     3122006-08-16 23:53  acastro 
     313 
     314        * : The regeneration of the info file, when typing "make dist" was 
     315          broken, 
     316          due to some repetition of node names which apparently is not 
     317          allowed. 
     318          Maybe we are going to get rid of this file anyways, but anyways 
     319          I fix this. 
     320           
     321          The "make dist" still does not work, it breaks now in the python 
     322          directory, complaining about config.rpath missing. 
     323 
     3242006-08-16 12:57  appel 
     325 
     326        * : Add routines which take care of resizing the simulation 
     327          box for scattering calculations (by multiples of the asymptotic 
     328          unit cell). The resizing is done such that the spacing 
     329          of the "central region" matches in the end the spacing 
     330          that is used for a periodic calculation of the asymptotic 
     331          region. 
     332 
     3332006-08-16 09:57  appel 
     334 
     335        * : Only index 0 is available for spin unpolarized 
     336          calculations. This will fix the failed periodic 
     337          tests of today (that will arrive later). 
     338 
     3392006-08-15 21:05  appel 
     340 
     341        * : For spin-polarized calculations also output spin resolved bands 
     342          and DOS. 
     343 
     3442006-08-15 21:05  appel 
     345 
     346        * : Add unscaled k-vectors to the output of the Wigner-Seitz cell. 
     347Â