Changeset 23612c for ThirdParty/mpqc_open/src/lib/chemistry/qc/scf

Timestamp:

Mar 2, 2017, 12:28:36 PM (8 years ago)

Author:

Frederik Heber <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_v1.6.0, 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, ThirdParty_MPQC_rebuilt_buildsystem, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable

Children:

e2a57d

Parents:

318d5a

git-author:

Frederik Heber <heber@…> (02/08/17 21:37:21)

git-committer:

Frederik Heber <heber@…> (03/02/17 12:28:36)

Message:

Split SOURCES and HEADERS and prepended subdir.

File:

• ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/Makefile.am (modified) (3 diffs)

ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/Makefile.am

@@ -1 +1 @@
 LIBSCSCFSOURCES = \
-                clhf.cc clscf.cc effh.cc hsoshf.cc hsosscf.cc osshf.cc ossscf.cc scf.cc scfgradient.cc scfops.cc scfvector.cc svd.cc tchf.cc tcscf.cc tmplinst.cc uhf.cc uscf.cc
+        chemistry/qc/scf/clhf.cc \
+        chemistry/qc/scf/clscf.cc \
+        chemistry/qc/scf/effh.cc \
+        chemistry/qc/scf/hsoshf.cc \
+        chemistry/qc/scf/hsosscf.cc \
+        chemistry/qc/scf/osshf.cc \
+        chemistry/qc/scf/ossscf.cc \
+        chemistry/qc/scf/scf.cc \
+        chemistry/qc/scf/scfgradient.cc \
+        chemistry/qc/scf/scfops.cc \
+        chemistry/qc/scf/scfvector.cc \
+        chemistry/qc/scf/svd.cc \
+        chemistry/qc/scf/tchf.cc \
+        chemistry/qc/scf/tcscf.cc \
+        chemistry/qc/scf/tmplinst.cc \
+        chemistry/qc/scf/uhf.cc \
+        chemistry/qc/scf/uscf.cc
+
 
 LIBSCSCFHEADERS = \
-                clhf.h clhftmpl.h clscf.h effh.h gbuild.h hsoshf.h hsoshftmpl.h hsosscf.h lbgbuild.h lgbuild.h linkage.h ltbgrad.h osshf.h osshftmpl.h ossscf.h scf.h scflocal.h scfops.h tbgrad.h tchf.h tchftmpl.h tcscf.h uhf.h uhftmpl.h uscf.h
+        chemistry/qc/scf/clhf.h \
+        chemistry/qc/scf/clhftmpl.h \
+        chemistry/qc/scf/clscf.h \
+        chemistry/qc/scf/effh.h \
+        chemistry/qc/scf/gbuild.h \
+        chemistry/qc/scf/hsoshf.h \
+        chemistry/qc/scf/hsoshftmpl.h \
+        chemistry/qc/scf/hsosscf.h \
+        chemistry/qc/scf/lbgbuild.h \
+        chemistry/qc/scf/lgbuild.h \
+        chemistry/qc/scf/linkage.h \
+        chemistry/qc/scf/ltbgrad.h \
+        chemistry/qc/scf/osshf.h \
+        chemistry/qc/scf/osshftmpl.h \
+        chemistry/qc/scf/ossscf.h \
+        chemistry/qc/scf/scf.h \
+        chemistry/qc/scf/scflocal.h \
+        chemistry/qc/scf/scfops.h \
+        chemistry/qc/scf/tbgrad.h \
+        chemistry/qc/scf/tchf.h \
+        chemistry/qc/scf/tchftmpl.h \
+        chemistry/qc/scf/tcscf.h \
+        chemistry/qc/scf/uhf.h \
+        chemistry/qc/scf/uhftmpl.h \
+        chemistry/qc/scf/uscf.h
+
 
 lib_LTLIBRARIES +=
@@ -43 +85 @@
 #nodist_libSCscf_libinclude_HEADERS = $(top_builddir)/src/lib/scconfig.h
 
+
 SCFTESTS = \
         scftest
@@ -54 +97 @@
         libSCcontainer.la libSCref.la libSCmisc.la
 
-scftest_SOURCES = scftest.cc
+scftest_SOURCES = \
+        chemistry/qc/scf/scftest.cc
 scftest_LDADD = \
         $(SCFLIBS)