Changeset 992a54
- Timestamp:
- Dec 16, 2009, 12:30:16 PM (15 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, 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_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
- Children:
- b28524
- Parents:
- 85bc8e
- git-author:
- Tillmann Crueger <crueger@…> (12/07/09 14:38:34)
- git-committer:
- Frederik Heber <heber@…> (12/16/09 12:30:16)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/menu.cpp
r85bc8e r992a54 1301 1301 if (ConfigFileName != NULL) 1302 1302 strcpy(filename, ConfigFileName); 1303 if (output == NULL)1303 else 1304 1304 strcpy(filename,"main_pcp_linux"); 1305 1305 Log() << Verbose(0) << "Saving as pdb input "; … … 1312 1312 if (ConfigFileName != NULL) 1313 1313 strcpy(filename, ConfigFileName); 1314 if (output == NULL)1314 else 1315 1315 strcpy(filename,"main_pcp_linux"); 1316 1316 Log() << Verbose(0) << "Saving as tremolo data input "; … … 1366 1366 output.open(filename, ios::trunc); 1367 1367 } 1368 if (output == NULL){1368 else { 1369 1369 strcpy(filename,"main_pcp_linux"); 1370 1370 strcat(filename, ".xyz"); … … 1389 1389 if (ConfigFileName != NULL) 1390 1390 strcpy(filename, ConfigFileName); 1391 if (output == NULL)1391 else 1392 1392 strcpy(filename,"main_pcp_linux"); 1393 1393 Log() << Verbose(0) << "Saving as mpqc input "; … … 1403 1403 delete(mol); 1404 1404 }; 1405
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