source: molecuilder

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Diff Rev Age Author Log Message
(edit) @941b66   17 years FrederikHeber LoadPeriodentafel(): no more outputs of parsed elements
(edit) @201832   17 years FrederikHeber normal blas (e.g. prefered gotoblas) instead of gslcblas is used in linking
(edit) @77da65   17 years FrederikHeber ADDHYDROGEN and HAVE_DEBUG fix: config.h was not yet included …
(edit) @e58fcb7   17 years FrederikHeber FragmentMolecule(): debug messages removed for ADDHYDROGEN
(edit) @bd7b85   17 years FrederikHeber AC_MSG_WARN if both optimization and debug present removed As …
(edit) @da83f8   17 years FrederikHeber added --enable-optimization, thrown -g -O specifics out of …
(edit) @090299   17 years FrederikHeber molecuilder reads and stored ion velocities Class atom has new …
(add) @a0bcf1   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
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