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3 commits

Author SHA1 Message Date
Teodoro Laino
a1ad52ed3e new tests 
svn-origin-rev: 12446
 2012-10-18 09:20:48 +00:00
Teodoro Laino
8918f632fc Bug fix for SE analytical derivatives when TAPER was ON. Bug fix for SE-QMMM: never 
switch on the TAPER function.. added 1 regtest


svn-origin-rev: 6306
 2007-08-18 21:03:07 +00:00
Teodoro Laino
c23e8a977b qm/mm with semiempirical.. a the moment working only the mechanical coupling.. 
added two more regtests for qm/mm semiempirical..


svn-origin-rev: 5596
 2006-11-24 01:10:25 +00:00