source: @ 6393ff

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
build-aux bf4b9f   15 years FrederikHeber Moved LinearAlgebra from folder src/ into distinct sub-package. - …
data 7f39de   12 years FrederikHeber DISTFIX: molecuilder_logo.png is contained, not molecuildergui.png.
debian 996ef1   9 years FrederikHeber FIX: Added version to debian changelog.
doc 73a5f7   9 years FrederikHeber Added parsing and saving of fragment results container state. - TEST: …
LinearAlgebra 6d5280   11 years FrederikHeber FIX: Reduced verbosity noise from Line::getIntersection(). - removed …
m4 b61bd5   10 years FrederikHeber Fixed levmar m4 to use pkgconfig and locate. - we don't need to give …
src 6393ff   9 years FrederikHeber Added getConnections() to SphericalPointDistribution. - we use …
tests 6cb1cd   9 years FrederikHeber Removing SphericalPointDistribution::getSimplePolygon() to allow for …
utils 2fe4a5   9 years FrederikHeber TESTFIX: Changed all parse-tremolo-potential calls to …
.gitignore 289 bytes ​ df765f   14 years FrederikHeber gitignore ignores new .autotools of eclipse.
AUTHORS 204 bytes ​ 9cd807   15 years FrederikHeber FIX: Other authors were missing again in AUTHORS (thx Ralf!). - …
bootstrap 419 bytes ​ bf4b9f   15 years FrederikHeber Moved LinearAlgebra from folder src/ into distinct sub-package. - …
ChangeLog 173 bytes ​ 6ac7ee   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
checkcommits.sh 4.4 KB ​ dcc228   15 years FrederikHeber Added script to check all commits in a given range externally. - i.e. …
configure.ac 17.2 KB ​ 3d61c7   9 years FrederikHeber Added configure enable-switch for qtgui's capturing of stdout.
COPYING 17.6 KB ​ 8e463e   15 years FrederikHeber FIX: COPYING AND README still had conflict markers (thx Ralf!).
INSTALL 15.2 KB ​ 013a1f1   15 years FrederikHeber config/*, INSTALL and COPYING have not been present in the repo.
libmolecuilder_config.h.in 0 bytes ​ 861874   15 years FrederikHeber libMolecuilderAction is now a shared lib via libtool. This is all …
LinearAlgebra-debug.pc.in 368 bytes ​ ba3539   10 years FrederikHeber Package CodePatterns is now called libcodepatterns. - updated m4 …
makeDebianPackage.sh 1.1 KB ​ 08d9df7   10 years FrederikHeber FIX: Rename codepatterns -> libcodepatterns. - updated …
Makefile.am 909 bytes ​ 66b092   10 years FrederikHeber Added debugging package molecuilder-dbg and source package …
MoleCuilder.pc.in 465 bytes ​ ba3539   10 years FrederikHeber Package CodePatterns is now called libcodepatterns. - updated m4 …
NEWS 0 bytes ​ c88cde   18 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
README 937 bytes ​ d2596b   14 years FrederikHeber Added XmlParser for parsing configurations for ScaFaCoS generic test …
test_all.sh 4.6 KB ​ 490038   15 years FrederikHeber added --with-valgrind switch to configure script. - if given, we use …
TestRunnerClient.cpp 11.8 KB ​ 88b400   15 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
TestRunnerClient.h 4.1 KB ​ 861874   15 years FrederikHeber libMolecuilderAction is now a shared lib via libtool. This is all …
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