source: molecuilder/src/parser.cpp

Revision Log Mode:


Legend:

Added
Modified
Copied or renamed
Diff Rev Age Author Log Message
(edit) @75793b2   17 years FrederikHeber these are all smaller fixes due to extensively enabled compiler …
(edit) @f75030   17 years FrederikHeber Lots of for loops now count in reverse order where it does not matter, …
(edit) @a6e314   17 years FrederikHeber ParseMatrix(): char * to string, Contains() hat KeySetContainer:: …
(edit) @310b25   17 years FrederikHeber some comments for where "F" and where "E" terms are created
(edit) @7afa7e   17 years FrederikHeber Matrix::ParseMatrix()L: comment makes it clearer at what fragment with …
(edit) @417bb5   17 years FrederikHeber changed comments a bit
(edit) @48efc3   17 years FrederikHeber MatrixContainer::MatrixContainer() debug message fixes only, …
(edit) @8449ed   17 years FrederikHeber joiner crashed due to incorrect destructing of MatrixContainer, …
(edit) @115bf4   17 years FrederikHeber ForcesFile and TEFactors are _needed_, reincorporated. UniqueFragments …
(edit) @cffff8   17 years FrederikHeber ~MatrixContainer(): Bugfix - Free if Matrix[MatrixCounter] would also …
(edit) @c75363   17 years FrederikHeber HUGE REWRITE to allow for adaptive increase of the bond order, first …
(edit) @d982bb   17 years FrederikHeber All filenames (const char *) have been transferred to defs.hpp …
(edit) @77da65   17 years FrederikHeber ADDHYDROGEN and HAVE_DEBUG fix: config.h was not yet included …
(add) @a0bcf1   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
Note: See TracRevisionLog for help on using the revision log.