Changeset ce254c for ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/gpetite.cc

Timestamp:

May 8, 2017, 1:51:00 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, 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, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes

Children:

73faf4, 9a1e35c, ae14a1, e4036a

Parents:

23ad4f

git-author:

Frederik Heber <frederik.heber@…> (05/05/17 11:14:53)

git-committer:

Frederik Heber <frederik.heber@…> (05/08/17 13:51:00)

Message:

FIX: Enforce template instantation in mpqc's gpetite.cc to avoid linker problems.

File:

• ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/gpetite.cc (modified) (1 diff)

ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/gpetite.cc

@@ -146 +146 @@
 }
 
+// enforce template instantation
+template GPetite4<canonical_aaaa>::GPetite4(const Ref<GaussianBasisSet> &b1,
+         const Ref<GaussianBasisSet> &b2,
+         const Ref<GaussianBasisSet> &b3,
+         const Ref<GaussianBasisSet> &b4,
+         const canonical_aaaa& c);
+template GPetite4<canonical_aabc>::GPetite4(const Ref<GaussianBasisSet> &b1,
+         const Ref<GaussianBasisSet> &b2,
+         const Ref<GaussianBasisSet> &b3,
+         const Ref<GaussianBasisSet> &b4,
+         const canonical_aabc& c);
+template GPetite4<canonical_aabb>::GPetite4(const Ref<GaussianBasisSet> &b1,
+         const Ref<GaussianBasisSet> &b2,
+         const Ref<GaussianBasisSet> &b3,
+         const Ref<GaussianBasisSet> &b4,
+         const canonical_aabb& c);
+template GPetite4<canonical_abcd>::GPetite4(const Ref<GaussianBasisSet> &b1,
+         const Ref<GaussianBasisSet> &b2,
+         const Ref<GaussianBasisSet> &b3,
+         const Ref<GaussianBasisSet> &b4,
+         const canonical_abcd& c);
+
+
 /////////////////////////////////////////////////////////////////////////////