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【分享】Updated packages ATK 2009.06
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Updated packages ATK 2009.06 An update of ATK SemiEmpirical (version 2009.06.2) is now available, which fixes a couple of issues both in the original packages and in the update 2009.06.1. Details Users who downloaded the original release of ATK (2009.06.0) and who are experiencing problems with the license system should upgrade to this release. In addition, these latest packages contain a few added features, most notably the ability to cleave a crystal. Users who downloaded version 2009.06.1 will find that the Database tool in VNL does not function correctly. To resolve this issue, either download and install the updated packages (2009.06.2) in the usual way, or follow the manual instructions below (the fix consists of a single, small file, so there is not really a need to download the entire package again). ATK 2009.06.2 is available for both 32 and 64 bit Linux platforms. Manual instructions If you already have installed ATK 2009.06.1, it is very simple to patch the installation by hand to resolve the issue with the Database tool. You can apply the fix by editing the file vnl/bin/vnl in the ATK 2009.06 installation tree. On the third line in that file, add the following to the beginning of the line PSEUDOPOTENTIALS_PATH=$EXEC_DIR/../../nlpython/share/pseudopotentials so that file becomes (the lines break in this view due to the limited width of the window, but the file should only contain 3 lines) #!/bin/sh EXEC_DIR=`dirname $0` PSEUDOPOTENTIALS_PATH=$EXEC_DIR/../../nlpython/share/pseudopotentials PYTHONHOME=$EXEC_DIR/.. PYTHONPATH= LD_LIBRARY_PATH=$EXEC_DIR/../lib $EXEC_DIR/vnl_exec $* Alternatively, at the prompt from the directory where you installed ATK 2009.06, type the following commands: cd atk-2009.06/vnl/bin/vnl (modify as needed if you changed the installation directory compared to default) wget http://quantumwise.com/download/patches/2009.06.2/vnl.gz gunzip vnl.gz (answer "y" to overwrite the existing file) If "wget" is not installed on your system, just download the file manually and save it in the atk-2009.06/vnl/bin directory. |
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