int main(int argc, char* argv[]) { try { if (argc > 1) platform.setPropertyDefaultValue("CudaPrecision", string(argv[1])); testSingleBond(); testConstraints(); testVelocityConstraints(); testConstrainedMasslessParticles(); testWithThermostat(); testMonteCarlo(); testSum(); testParameter(); testRandomDistributions(); testPerDofVariables(); testForceGroups(); testRespa(); testMergedRandoms(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }
int main(int argc, char* argv[]) { try { if (argc > 1) platform.setPropertyDefaultValue("CudaPrecision", string(argv[1])); testSimpleExpression(); testParameters(); testManyParameters(); testExclusions(); testCutoff(); testPeriodic(); testTriclinic(); testContinuous1DFunction(); testContinuous2DFunction(); testContinuous3DFunction(); testDiscrete1DFunction(); testDiscrete2DFunction(); testDiscrete3DFunction(); testCoulombLennardJones(); testParallelComputation(); testSwitchingFunction(); testLongRangeCorrection(); testInteractionGroups(); testLargeInteractionGroup(); testInteractionGroupLongRangeCorrection(); testMultipleCutoffs(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }
int main(int argc, char* argv[]) { try { if (argc > 1) platform.setPropertyDefaultValue("CudaPrecision", string(argv[1])); if (platform.getPropertyDefaultValue("CudaPrecision") == "double") { testTransform<double2>(false, 28, 25, 30); testTransform<double2>(true, 28, 25, 25); testTransform<double2>(true, 25, 28, 25); testTransform<double2>(true, 25, 25, 28); testTransform<double2>(true, 21, 25, 27); } else { testTransform<float2>(false, 28, 25, 30); testTransform<float2>(true, 28, 25, 25); testTransform<float2>(true, 25, 28, 25); testTransform<float2>(true, 25, 25, 28); testTransform<float2>(true, 21, 25, 27); } } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }
int main(int argc, char* argv[]) { try { if (argc > 1) platform.setPropertyDefaultValue("CudaPrecision", string(argv[1])); testCoulomb(); testLJ(); testExclusionsAnd14(); testCutoff(); testCutoff14(); testPeriodic(); testLargeSystem(); //testBlockInteractions(false); //testBlockInteractions(true); testDispersionCorrection(); testChangingParameters(); testParallelComputation(NonbondedForce::NoCutoff); testParallelComputation(NonbondedForce::Ewald); testParallelComputation(NonbondedForce::PME); testSwitchingFunction(NonbondedForce::CutoffNonPeriodic); testSwitchingFunction(NonbondedForce::PME); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }
int main(int argc, char* argv[]) { try { if (argc > 1) platform.setPropertyDefaultValue("CudaPrecision", string(argv[1])); testCMAPTorsions(); testChangingParameters(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }
int main(int argc, char* argv[]) { try { if (argc > 1) platform.setPropertyDefaultValue("CudaPrecision", string(argv[1])); testAngles(); testParallelComputation(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }
int main(int argc, char* argv[]) { try { if (argc > 1) platform.setPropertyDefaultValue("CudaPrecision", string(argv[1])); testHarmonicBond(); testComplexFunction(); testCustomWeights(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }
int main(int argc, char* argv[]) { try { if (argc > 1) platform.setPropertyDefaultValue("CudaPrecision", string(argv[1])); testUniformValues(); testLogValues(); testShortList(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }
int main(int argc, char* argv[]) { try { if (argc > 1) platform.setPropertyDefaultValue("CudaPrecision", string(argv[1])); testSingleBond(); testConstraints(); testConstrainedClusters(); testArgonBox(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }
int main(int argc, char* argv[]) { try { if (argc > 1) platform.setPropertyDefaultValue("CudaPrecision", string(argv[1])); testMasslessParticle(); testTwoParticleAverage(); testThreeParticleAverage(); testOutOfPlane(); testConservationLaws(); testReordering(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }
int main(int argc, char* argv[]) { try { if (argc > 1) platform.setPropertyDefaultValue("CudaPrecision", string(argv[1])); testNoCutoff(); testCutoff(); testPeriodic(); testExclusions(); testAllTerms(); testParameters(); testTabulatedFunctions(); testTypeFilters(); testLargeSystem(); testCentralParticleModeNoCutoff(); testCentralParticleModeCutoff(); testCentralParticleModeLargeSystem(); } catch(const exception& e) { cout << "exception: " << e.what() << endl; return 1; } cout << "Done" << endl; return 0; }