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#bookeeping |
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INCLUDES = -I../libBASS -I@sprng_include@ -I@mpich_include@ -I@mpich_include@/mpi2c++ |
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.F90.o: |
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$(F77) $(AM_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o $@ `test -f '$<' || echo '$(srcdir)/'`$< |
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.F90.obj: |
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$(F77) $(AM_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o $@ `if test -f '$<'; then $(CYGPATH_W) '$<'; else $(CYGPATH_W) '$(srcdir)/$<'; fi` |
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mmeineke |
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#***************************************************************** |
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# the single processor build |
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# **************************************************************** |
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pkglib_LIBRARIES = libmdCode.a libMPImdCode.a |
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270 |
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mmeineke |
300 |
pkginclude_HEADERS = AbstractClasses.hpp Atom.hpp ForceFields.hpp \ |
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Integrator.hpp ReadWrite.hpp SimInfo.hpp SimSetup.hpp SRI.hpp \ |
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Thermo.hpp Molecule.hpp randomSPRNG.hpp mpiForceField.h \ |
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mpiSimulation.hpp mpiComponentPlan.h fSimulation.h fortranWrappers.hpp \ |
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fortranWrapDefines.hpp |
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mmeineke |
270 |
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mmeineke |
300 |
libmdCode_a_SOURCES = forceFactory.hpp fortranFncs.h Bend.cpp \ |
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BendExtensions.cpp Bond.cpp BondExtensions.cpp DipoleTestFF.cpp \ |
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DirectionalAtom.cpp DumpWriter.cpp InitializeFromFile.cpp LJ_FF.cpp \ |
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SimInfo.cpp SimSetup.cpp StatWriter.cpp Symplectic.cpp Thermo.cpp \ |
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mmeineke |
367 |
GhostBend.cpp Torsion.cpp TorsionExtensions.cpp TraPPE_ExFF.cpp \ |
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TraPPEFF.cpp Verlet.cpp randomSPRNG.cpp fortranWrappers.cpp \ |
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mmeineke |
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ForceFields.cpp atype_module.F90 f_verlet_constrained.F90 \ |
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mmeineke |
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calc_dipole_dipole.F90 calc_reaction_field.F90 calc_LJ_FF.F90 \ |
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calc_sticky_pair.F90 do_Forces.F90 vector_class.F90 \ |
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simulation_module.F90 wrappers.F90 neighborLists.F90 calc_gb.F90 \ |
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force_globals.F90 |
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mmeineke |
270 |
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mmeineke |
321 |
libmdCode_a_CXXFLAGS = -DFRC_PATH="$(pkgdatadir)" $(AM_CXXFLAGS) |
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mmeineke |
291 |
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mmeineke |
275 |
#compiler and machine dependent fortran definitions |
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EXTRA_libmdCode_a_SOURCES = Linux_ifc_machdep.F90 |
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libmdCode_a_LIBADD = @fortran_machine_defs@ |
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mmeineke |
291 |
#fortran module dependencies |
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mmeineke |
270 |
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mmeineke |
367 |
atype_module.o: atype_module.F90 @fortran_machine_defs@ vector_class.o calc_sticky_pair.o calc_gb.o |
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mmeineke |
270 |
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mmeineke |
367 |
simulation_module.o: simulation_module.F90 @fortran_machine_defs@ atype_module.o neighborLists.o |
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mmeineke |
275 |
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mmeineke |
355 |
wrappers.o: wrappers.F90 simulation_module.o @fortran_machine_defs@ \ |
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do_Forces.o atype_module.o |
| 54 |
mmeineke |
277 |
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mmeineke |
347 |
neighborLists.o: neighborLists.F90 @fortran_machine_defs@ |
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mmeineke |
270 |
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| 57 |
mmeineke |
365 |
force_globals.o: @fortran_machine_defs@ |
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mmeineke |
287 |
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| 59 |
mmeineke |
365 |
calc_dipole_dipole.o: calc_dipole_dipole.F90 @fortran_machine_defs@ atype_module.o force_globals.o vector_class.o |
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mmeineke |
270 |
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| 61 |
mmeineke |
365 |
calc_LJ_FF.o: calc_LJ_FF.F90 @fortran_machine_defs@ atype_module.o vector_class.o force_globals.o |
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mmeineke |
285 |
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| 63 |
mmeineke |
365 |
calc_reaction_field.o: calc_reaction_field.F90 @fortran_machine_defs@ vector_class.o atype_module.o force_globals.o |
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mmeineke |
270 |
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| 65 |
mmeineke |
365 |
calc_sticky_pair.o: calc_sticky_pair.F90 @fortran_machine_defs@ force_globals.o |
| 66 |
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calc_gb.o: calc_gb.F90 @fortran_machine_defs@ force_globals.o |
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mmeineke |
347 |
do_Forces.o: do_Forces.F90 @fortran_machine_defs@ simulation_module.o atype_module.o neighborLists.o calc_LJ_FF.o \ |
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mmeineke |
365 |
calc_sticky_pair.o calc_dipole_dipole.o calc_reaction_field.o calc_gb.o force_globals.o |
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mmeineke |
270 |
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mmeineke |
274 |
#***************************************************************** |
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# MPI build |
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#**************************************************************** |
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mmeineke |
277 |
libMPImdCode_a_SOURCES = forceFactory.hpp fortranFncs.h Bend.cpp \ |
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BendExtensions.cpp Bond.cpp BondExtensions.cpp DipoleTestFF.cpp \ |
| 78 |
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DirectionalAtom.cpp DumpWriter.cpp InitializeFromFile.cpp LJ_FF.cpp \ |
| 79 |
mmeineke |
291 |
SimInfo.cpp SimSetup.cpp StatWriter.cpp Symplectic.cpp Thermo.cpp \ |
| 80 |
mmeineke |
367 |
GhostBend.cpp Torsion.cpp TorsionExtensions.cpp TraPPE_ExFF.cpp \ |
| 81 |
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TraPPEFF.cpp fortranWrappers.cpp ForceFields.cpp Verlet.cpp \ |
| 82 |
mmeineke |
373 |
randomSPRNG.cpp f_verlet_constrained.F90 mpiForceField.c \ |
| 83 |
mmeineke |
367 |
mpiSimulation.cpp mpiSimulation_module.F90 |
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mmeineke |
274 |
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mmeineke |
275 |
EXTRA_libMPImdCode_a_SOURCES = Linux_ifc_machdep.F90 |
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mmeineke |
347 |
libMPImdCode_a_LIBADD = @fortran_machine_defs@ \ |
| 88 |
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libMPImdCode_a-atype_module.$(OBJEXT) \ |
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libMPImdCode_a-simulation_module.$(OBJEXT) \ |
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libMPImdCode_a-neighborLists.$(OBJEXT) \ |
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libMPImdCode_a-calc_dipole_dipole.$(OBJEXT) \ |
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libMPImdCode_a-calc_LJ_FF.$(OBJEXT) \ |
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libMPImdCode_a-calc_reaction_field.$(OBJEXT) \ |
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libMPImdCode_a-calc_sticky_pair.$(OBJEXT) \ |
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libMPImdCode_a-do_Forces.$(OBJEXT) \ |
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libMPImdCode_a-wrappers.$(OBJEXT) \ |
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mmeineke |
367 |
libMPImdCode_a-calc_gb.$(OBJEXT) \ |
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libMPImdCode_a-force_globals.$(OBJEXT) \ |
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mmeineke |
347 |
libMPImdCode_a-vector_class.$(OBJEXT) |
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mmeineke |
277 |
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mmeineke |
347 |
libMPImdCode_a_DEPENDENCIES = @fortran_machine_defs@ \ |
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libMPImdCode_a-atype_module.$(OBJEXT) \ |
| 103 |
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libMPImdCode_a-simulation_module.$(OBJEXT) \ |
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libMPImdCode_a-neighborLists.$(OBJEXT) \ |
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libMPImdCode_a-calc_dipole_dipole.$(OBJEXT) \ |
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libMPImdCode_a-calc_LJ_FF.$(OBJEXT) \ |
| 107 |
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libMPImdCode_a-calc_reaction_field.$(OBJEXT) \ |
| 108 |
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libMPImdCode_a-calc_sticky_pair.$(OBJEXT) \ |
| 109 |
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libMPImdCode_a-do_Forces.$(OBJEXT) \ |
| 110 |
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libMPImdCode_a-wrappers.$(OBJEXT) \ |
| 111 |
mmeineke |
365 |
libMPImdCode_a-calc_gb.$(OBJEXT) \ |
| 112 |
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libMPImdCode_a-force_globals.$(OBJEXT) \ |
| 113 |
mmeineke |
347 |
libMPImdCode_a-vector_class.$(OBJEXT) |
| 114 |
mmeineke |
277 |
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| 115 |
mmeineke |
274 |
libMPImdCode_a_CFLAGS = -DIS_MPI $(AM_CFLAGS) |
| 116 |
mmeineke |
321 |
libMPImdCode_a_CXXFLAGS = -DFRC_PATH="$(pkgdatadir)" -DIS_MPI $(AM_CXXFLAGS) |
| 117 |
mmeineke |
274 |
libMPImdCode_a_FFLAGS = -DIS_MPI $(AM_FFLAGS) |
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mmeineke |
291 |
#fortran module dependencies |
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mmeineke |
275 |
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mmeineke |
367 |
libMPImdCode_a-atype_module.o: atype_module.F90 @fortran_machine_defs@ libMPImdCode_a-vector_class.o libMPImdCode_a-calc_gb.o libMPImdCode_a-calc_sticky_pair.o |
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mmeineke |
347 |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-atype_module.o `test -f 'atype_module.F90' || echo '$(srcdir)/'`atype_module.F90 |
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mmeineke |
277 |
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| 124 |
mmeineke |
347 |
libMPImdCode_a-simulation_module.o: simulation_module.F90 @fortran_machine_defs@ mpiSimulation_module.o \ |
| 125 |
mmeineke |
367 |
libMPImdCode_a-atype_module.o libMPImdCode_a-neighborLists.o libMPImdCode_a-force_globals.o |
| 126 |
mmeineke |
277 |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-simulation_module.o `test -f 'simulation_module.F90' || echo '$(srcdir)/'`simulation_module.F90 |
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mmeineke |
367 |
libMPImdCode_a-force_globals.o: force_globals.F90 @fortran_machine_defs@ mpiSimulation_module.o |
| 129 |
mmeineke |
365 |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-force_globals.o `test -f 'force_globals.F90' || echo '$(srcdir)/'`force_globals.F90 |
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mmeineke |
347 |
libMPImdCode_a-wrappers.o: wrappers.F90 libMPImdCode_a-simulation_module.o @fortran_machine_defs@ \ |
| 132 |
mmeineke |
355 |
mpiSimulation_module.o libMPImdCode_a-do_Forces.o libMPImdCode_a-atype_module.o |
| 133 |
mmeineke |
277 |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-wrappers.o `test -f 'wrappers.F90' || echo '$(srcdir)/'`wrappers.F90 |
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mmeineke |
274 |
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| 135 |
mmeineke |
347 |
libMPImdCode_a-neighborLists.o: neighborLists.F90 mpiSimulation_module.o @fortran_machine_defs@ |
| 136 |
mmeineke |
285 |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-neighborLists.o `test -f 'neighborLists.F90' || echo '$(srcdir)/'`neighborLists.F90 |
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mmeineke |
278 |
mpiSimulation_module.o: mpiSimulation_module.F90 @fortran_machine_defs@ |
| 139 |
mmeineke |
277 |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o mpiSimulation_module.o `test -f 'mpiSimulation_module.F90' || echo '$(srcdir)/'`mpiSimulation_module.F90 |
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mmeineke |
275 |
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| 141 |
mmeineke |
347 |
libMPImdCode_a-calc_dipole_dipole.o: calc_dipole_dipole.F90 @fortran_machine_defs@ libMPImdCode_a-vector_class.o\ |
| 142 |
mmeineke |
365 |
libMPImdCode_a-force_globals.o mpiSimulation_module.o libMPImdCode_a-atype_module.o |
| 143 |
mmeineke |
347 |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-calc_dipole_dipole.o `test -f 'calc_dipole_dipole.F90' || echo '$(srcdir)/'`calc_dipole_dipole.F90 |
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mmeineke |
289 |
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| 145 |
mmeineke |
347 |
libMPImdCode_a-calc_LJ_FF.o: calc_LJ_FF.F90 @fortran_machine_defs@ libMPImdCode_a-vector_class.o\ |
| 146 |
mmeineke |
365 |
libMPImdCode_a-atype_module.o mpiSimulation_module.o libMPImdCode_a-force_globals.o |
| 147 |
mmeineke |
347 |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-calc_LJ_FF.o `test -f 'calc_LJ_FF.F90' || echo '$(srcdir)/'`calc_LJ_FF.F90 |
| 148 |
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| 149 |
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libMPImdCode_a-calc_reaction_field.o: calc_reaction_field.F90 @fortran_machine_defs@ libMPImdCode_a-vector_class.o\ |
| 150 |
mmeineke |
365 |
libMPImdCode_a-force_globals.o mpiSimulation_module.o libMPImdCode_a-atype_module.o |
| 151 |
mmeineke |
347 |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-calc_reaction_field.o `test -f 'calc_reaction_field.F90' || echo '$(srcdir)/'`calc_reaction_field.F90 |
| 152 |
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| 153 |
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libMPImdCode_a-calc_sticky_pair.o: calc_sticky_pair.F90 @fortran_machine_defs@ \ |
| 154 |
mmeineke |
365 |
libMPImdCode_a-force_globals.o mpiSimulation_module.o |
| 155 |
mmeineke |
347 |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-calc_sticky_pair.o `test -f 'calc_sticky_pair.F90' || echo '$(srcdir)/'`calc_sticky_pair.F90 |
| 156 |
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| 157 |
mmeineke |
365 |
libMPImdCode_a-calc_gb.o: calc_gb.F90 @fortran_machine_defs@ \ |
| 158 |
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libMPImdCode_a-force_globals.o mpiSimulation_module.o |
| 159 |
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$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-calc_gb.o `test -f 'calc_gb.F90' || echo '$(srcdir)/'`calc_gb.F90 |
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| 161 |
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| 162 |
mmeineke |
347 |
libMPImdCode_a-do_Forces.o: do_Forces.F90 @fortran_machine_defs@ libMPImdCode_a-simulation_module.o mpiSimulation_module.o libMPImdCode_a-atype_module.o\ |
| 163 |
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libMPImdCode_a-calc_sticky_pair.o libMPImdCode_a-calc_reaction_field.o libMPImdCode_a-calc_LJ_FF.o libMPImdCode_a-calc_dipole_dipole.o \ |
| 164 |
mmeineke |
365 |
libMPImdCode_a-neighborLists.o libMPImdCode_a-calc_gb.o libMPImdCode_a-force_globals.o |
| 165 |
mmeineke |
347 |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-do_Forces.o `test -f 'do_Forces.F90' || echo '$(srcdir)/'`do_Forces.F90 |
| 166 |
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| 167 |
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libMPImdCode_a-vector_class.o: vector_class.F90 |
| 168 |
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$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-vector_class.o `test -f 'vector_class.F90' || echo '$(srcdir)/'`vector_class.F90 |
