Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
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_IntegrationTest
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
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
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| 1 | This directory contains a matlab MEX interface to levmar. This interface
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| 2 | has been tested with Matlab v. 6.5 R13 under linux and v. 7.4 R2007 under Windows.
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| 3 | Users have also reported success with GNU Octave.
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| 4 |
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| 5 | FILES
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| 6 | The following files are included:
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| 7 | levmar.c: C MEX-file for levmar
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| 8 | Makefile: UNIX makefile for compiling levmar.c using mex
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| 9 | Makefile.w32: Windows makefile for compiling levmar.c using mex
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| 10 | levmar.m: Documentation for the MEX interface
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| 11 | lmdemo.m: Demonstration of using the MEX interface; run as matlab < lmdemo.m
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| 12 |
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| 13 | *.m: Matlab functions implementing various objective functions and their Jacobians.
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| 14 | For instance, meyer.m implements the objective function for Meyer's (reformulated)
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| 15 | problem and jacmeyer.m implements its Jacobian.
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| 16 |
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| 17 |
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| 18 |
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| 19 | COMPILING
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| 20 | Use the provided Makefile or Makefile.w32, depending on your platform.
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| 21 | Alternatively, levmar.c can be compiled from matlab's prompt with a
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| 22 | command like
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| 23 |
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| 24 | mex -DHAVE_LAPACK -I.. -O -L<levmar library dir> -L<blas/lapack libraries dir> levmar.c -llevmar -lclapack -lblas -lf2c
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| 25 |
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| 26 | Make sure that you substitute the angle brackets with the correct paths to
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| 27 | the levmar and the blas/lapack directories. Also, on certain systems,
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| 28 | -lf2c should be changed to -llibF77 -llibI77
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| 29 | If your mex compiler has not been configured, the following command should be run first:
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| 30 |
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| 31 | mex -setup
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| 32 |
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| 33 |
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| 34 | TESTING
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| 35 | After compiling, execute lmdemo.m with matlab < lmdemo.m
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