source: molecuilder/src/defs.hpp

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Diff Rev Age Author Log Message
(edit) @6acc8e4   15 years FrederikHeber Shifted BONDTHRESHOLD from defs.hpp over to bondgraph.hpp and lowered …
(edit) @390a2b   16 years Saskia Metzler Ticket 11: use templates and/or traits to fix Malloc/ReAlloc-Free …
(edit) @3b470f   16 years FrederikHeber Merge branch 'Thermostat' Conflicts: .gitignore Makefile.am …
(edit) @848729   17 years FrederikHeber Just a temporary commit
(edit) @c49678   17 years FrederikHeber Lots of conversion factors for various units Were taken from PCP defs.h
(edit) @79cd79   17 years FrederikHeber new function: molecule::OutputTemperatureFromTrajectories() stores …
(edit) @db3ea3   17 years FrederikHeber BIG change: Hcorrection included and bugfix of analyzer (wrt forces) … JoinAnalysis_works_for_forces
(edit) @375dcf   17 years FrederikHeber introduced shieldings to analyzer and joiner both now handle …
(edit) @e292c10   17 years FrederikHeber VolumeOfConvexEnvelope: Works! VolumeOfConvexEnvelope has been …
(edit) @38c017   17 years FrederikHeber new define LocalPath being the local path for pointers to set to (like …
(edit) @c84895   17 years FrederikHeber ENERGYPERFRAGMENT without ".dat"
(edit) @a3ff7b2   17 years FrederikHeber molecule::CheckOrderAtSite() now interprets negative Orders as …
(edit) @115bf4   17 years FrederikHeber ForcesFile and TEFactors are _needed_, reincorporated. UniqueFragments …
(edit) @c75363   17 years FrederikHeber HUGE REWRITE to allow for adaptive increase of the bond order, first …
(edit) @c510a7   17 years FrederikHeber char lengths of 255 and MAXDUMMYSTRING replaced with define …
(edit) @9bd230   17 years FrederikHeber changed config file to first argument again and standard config name …
(edit) @d982bb   17 years FrederikHeber All filenames (const char *) have been transferred to defs.hpp …
(edit) @370060   17 years FrederikHeber added VERSIONSTRING
(add) @a0bcf1   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
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