mirror of https://gitlab.com/QEF/q-e.git
63 lines
2.6 KiB
Plaintext
63 lines
2.6 KiB
Plaintext
---------------------------------------------------------------------------
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Please use the "cvs2cl.pl" script in the root directory
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of the distribution to produce a detailed ChangeLog
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---------------------------------------------------------------------------
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08/02/2005 Added the generation of PAW datasets. Experimental. (GF)
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01/11/2004 p wavefunctions added to the Pt pseudopotential. (ACC)
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29/10/2004 clean-up. Some routines are in flib. (ADC)
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26/10/2004 Bug fix: the length of dft in readpseudo was 50. Problem
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introduced by merging ld1 with PWscf. (ADC)
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25/10/2004 Added few additional checks for pseudopotential generation. (ADC)
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13/07/2004 Various cleanup, documentation (PG)
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09/07/2004 Troullier-Martins sort of working, more cleaning (PG)
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Pt pseudopotential updated (ADC)
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06/07/2004 indentation, spelling,Troullier-Martins implementation added
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(incomplete and untested), examples updated (PG)
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19/06/2004 Update of the output files. Added the possibility to write on file
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the beta functions (file_beta), the qvan functions (file_qvan),
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the chi functions (file_chi). (ADC)
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20/05/2004 Tests, examples, documentation added in directory atomic_doc
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19/05/2004 Atomic number can be replaced by atom name in input, as in
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the other version of the code (PG)
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14/05/2004 Atomic code added to the main CVS tree in directory atomic/
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Installation follows the same logic of all other codes.
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Routines: sph_bes erf random bachel funct which_dft capital
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matches functionals lsda_functionals, merged with or replaced
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by corresponding routines in flib/, Modules/, PW/ (PG)
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----------------------------------------------------------------------
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13/04/2004 Write_upf now write the correct core charge. Small bug fix
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and other small improvements. Added an example for the generation
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of a spin-orbit US pseudopotential. (ADC)
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05/04/2004 Bug fix. s local potential was not calculated correctly in
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relativistic case. (ADC)
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01/04/2004 A US spin-orbit splitted pseudopotential reproduces the
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all-electron eigenvalues (ADC)
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26/03/2004 Relativistic exchange introduced among the functionals (AMC)
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07/03/2004 Initial work for rationalize the output files (ADC)
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27/02/2004 Extra flag file_recon in test namelist to produce the appropriate
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file for paw reconstruction (MP)
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25/02/2004 Small changes to makefile. Now the code compiles on sp4, pc_pgi
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and pc_ifc. (ADC)
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24/02/2004 Initial release. (ADC)
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Simplified installation. Now test.job does not require the path.
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