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cp2k/tests/QMMM/SE/sample_pot
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Teodoro Laino a1ad52ed3e new tests 
svn-origin-rev: 12446
2012-10-18 09:20:48 +00:00
..
mol.pot qm/mm with semiempirical.. a the moment working only the mechanical coupling.. 2006-11-24 01:10:25 +00:00
tyrosine.pot new tests 2012-10-18 09:20:48 +00:00
zwitt.pot Bug fix for SE analytical derivatives when TAPER was ON. Bug fix for SE-QMMM: never 2007-08-18 21:03:07 +00:00