Timeline
01/05/09:
- 20:48 Changeset [4851] by
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o Removed some problems that appeared when computing the density
matrix ...
- 12:36 Changeset [4850] by
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Now also orbital functionals work in the one_shot mode
- 10:48 Changeset [4849] by
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Needed an #ifdef to compile
- 10:41 Changeset [4848] by
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Added a new form for the exachange enhancement factor that comes from a ...
01/02/09:
- 17:18 Changeset [4847] by
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Separated the calculations of the density matrix, which is transferred to ...
12/30/08:
- 14:10 Changeset [4846] by
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Removed some unused variables.
12/26/08:
- 11:17 Changeset [4845] by
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Routine states_write_density_matrix failed when the wavefunctions ...
12/24/08:
- 10:45 Changeset [4844] by
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Moved the calculation and printing of the density matrix (and ...
12/22/08:
- 17:54 Changeset [4843] by
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- 17:11 Changeset [4842] by
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Compilation with netcdf was broken by my changes.
12/21/08:
- 19:40 Changeset [4841] by
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Implemented the reading of electric and vibrational ...
12/20/08:
- 11:02 Changeset [4840] by
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* Moved enlarge from mesh_t to index_t. * index_from_coords now supports ...
- 01:00 Changeset [4839] by
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* Moved mesh_lib to index.
- 00:50 Changeset [4838] by
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My previous commit introduced a compilation error.
- 00:47 Changeset [4837] by
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* Some routines now take an index_t object instead of several independent ...
12/19/08:
- 16:38 Changeset [4836] by
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Moved some components from mesh_t to the new index_t.
- 11:01 Changeset [4835] by
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File td.F90 did not compile in my box, due to some problem with ...
- 09:32 Changeset [4834] by
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The variable dist_share_DATA was defined twice in this Makefile.am, which ...
12/18/08:
- 16:37 Changeset [4833] by
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The phase in the pseudopotential due to a static magnetic field ...
- 15:05 Changeset [4832] by
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added 2D density matrix output to td.F90
- 13:59 Changeset [4831] by
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Added pseudopotential filtering to the forces test, this is the first step ...
- 11:03 Changeset [4830] by
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Increased convergence precision and decreased precision of the match for ...
12/17/08:
- 18:42 Changeset [4829] by
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Disabled all open systems tests since they are all failing. Danilo should ...
- 12:54 Changeset [4828] by
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When I updated the tests after adding the extra subspace diagonalization ...
- 12:09 Changeset [4827] by
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But fix: test 15-hartree.test was failing since a little while ago.
- 03:00 Changeset [4826] by
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* My previous fix was wrong, now it seems to be correct and solves ...
- 01:59 Changeset [4825] by
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Fixed the separation of the nl_operator in 1D (I thought this could ...
- 00:15 Changeset [4824] by
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*) Made qmr solvers be X(..)-type template functions so they can be used ...
12/16/08:
- 07:44 Changeset [4823] by
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* Removed some blas abuses in the qmr solver.
* Renamed mf_dotu_qmr and ...
12/14/08:
- 17:34 Changeset [4822] by
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* The smoothing preconditioner was not properly implemented ...
12/13/08:
- 06:40 Changeset [4821] by
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Moved the qmr and conjugated gradient solvers to its own module.
- 01:49 Changeset [4820] by
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The QMR linear solver gives an error if you try to run it with real ...
