mirror of https://github.com/abinit/abinit.git
43 lines
1.5 KiB
Plaintext
43 lines
1.5 KiB
Plaintext
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README for Macroave
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===================
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This directory contains the documentation relative to the
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macroave (for macro-average) code developed by P. Ordejon,
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J. Junquera, with contributions by J. Soler and A. Garcia.
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They kindly provided this code, for inclusion in the ABINIT
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distribution, under the GPL license, starting with ABINITv4.2 .
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With respect to the package received in July 2003, the following
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modifications have been performed (I have tried to keep as close
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as possible to the original delivered package):
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- the main routine macroave.f , has been translated
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to Fortran 90 free format, and re-formatted for ROBODOC
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treatment (this is the only file that was modified);
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- the ABINIT compilation procedure has been followed, instead
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of the initial one.
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The macroave.tex , on the other hand, has not been modified,
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and, in particular, the section 2 (Compilation), is not
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coherent with the implementation in ABINIT.
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This means that the ABINIT user should simply skip this section,
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and, as usual, to compile, type the command :
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* **make macroave**
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in the *~ABINIT/* directory. This will work, provided the
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user has set up the *makefile_macros* file appropriate
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for their machine.
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* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
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Copyright (C) 2003-2025 ABINIT group (XG)
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This file is distributed under the terms of the
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GNU General Public License, see ~ABINIT/COPYING
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or http://www.gnu.org/copyleft/gpl.txt .
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For the initials of contributors, see ~ABINIT/Infos/contributors .
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