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
        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_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
        ThirdParty_MPQC_rebuilt_buildsystem
        TremoloParser_IncreasedPrecision
        TremoloParser_MultipleTimesteps
        Ubuntu_1604_changes
        stable
      
      
      
| Rev | Line |   | 
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| [0b990d] | 1 | //
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 | 2 | // unittest.cc
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 | 3 | //
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 | 4 | 
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 | 5 | #include <util/misc/units.h>
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 | 6 | #include <util/misc/formio.h>
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 | 7 | 
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 | 8 | #include <util/state/state.h>
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 | 9 | #include <util/state/stateout.h>
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 | 10 | static void (sc::SavableState::*force_state_link)(sc::StateOut&)
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 | 11 |     = &sc::SavableState::save_state;
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 | 12 | #include <util/state/linkage.h>
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 | 13 | 
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 | 14 | using namespace std;
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 | 15 | using namespace sc;
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 | 16 | 
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 | 17 | //////////////////////////////////////////////////////////////////////
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 | 18 | // Unit conversion test program 
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 | 19 | 
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 | 20 | int main(int argc, char **argv) {
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 | 21 |   const char *unitstr = "kcal/mol";
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 | 22 | 
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 | 23 |   if (argc == 2) {
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 | 24 |       unitstr = argv[1];
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 | 25 |     }
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 | 26 |   else if (argc != 1) {
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 | 27 |       cerr << "One argument, the unit to be converted, must be given" << endl;
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 | 28 |       abort();
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 | 29 |     }
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 | 30 |   
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 | 31 |   Ref<Units> unit = new Units(unitstr);
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 | 32 |   cout << indent << "Conversion between " << unit->string_rep() << " and atomic units:" << endl;
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 | 33 |   cout << setprecision(10);
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 | 34 |   cout << indent << "From atomic units: " << unit->from_atomic_units() << endl;
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 | 35 |   cout << indent << "To atomic units: " << unit->to_atomic_units() << endl;
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 | 36 | 
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 | 37 |   return 0;
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 | 38 | 
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 | 39 | }
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 | 40 | 
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 | 41 | 
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 | 42 | // Local Variables:
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 | 43 | // mode: c++
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 | 44 | // c-file-style: "CLJ"
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 | 45 | // End:
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