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# include paths starting with "." are all relative to the SUBDIRS!!! |
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INCLUDES= -I.. -I../../libBASS -I$(SPRNG_INC) |
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< |
MPI_INCLUDES= -I$(MPICH_INC) -I$(MPICH_INC)/mpi2c++ -I$(MPI_F90_MODS) |
21 |
> |
MPI_INCLUDES= -I$(MPICH_INC) -I$(MPI_F90_MODS) |
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CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARES) $(MPI_INCLUDES) |
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CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARES) |
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C_FILES = $(DIR)/mpiForceField.c |
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CXX_FILES = \ |
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+ |
$(DIR)/Atom.cpp \ |
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$(DIR)/Bend.cpp \ |
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$(DIR)/BendExtensions.cpp \ |
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$(DIR)/Bond.cpp \ |
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$(DIR)/BondExtensions.cpp \ |
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– |
$(DIR)/DipoleTestFF.cpp \ |
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$(DIR)/DirectionalAtom.cpp \ |
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$(DIR)/DumpWriter.cpp \ |
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+ |
$(DIR)/Exclude.cpp \ |
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$(DIR)/InitializeFromFile.cpp \ |
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$(DIR)/LJ_FF.cpp \ |
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$(DIR)/SimInfo.cpp \ |
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$(DIR)/Torsion.cpp \ |
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$(DIR)/TorsionExtensions.cpp \ |
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$(DIR)/TraPPE_ExFF.cpp \ |
75 |
– |
$(DIR)/TraPPEFF.cpp \ |
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$(DIR)/Verlet.cpp \ |
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$(DIR)/randomSPRNG.cpp \ |
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$(DIR)/fortranWrappers.cpp \ |
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$(DIR)/ForceFields.cpp \ |
80 |
< |
$(DIR)/mpiSimulation.cpp |
80 |
> |
$(DIR)/mpiSimulation.cpp \ |
81 |
> |
$(DIR)/Molecule.cpp |
82 |
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83 |
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84 |
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F90_FILES= \ |
184 |
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185 |
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obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
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obj/$(F_MACH_DEFS) \ |
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+ |
obj/simulation_module$(O) \ |
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obj/force_globals$(O) |
189 |
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190 |
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obj/calc_gb$(O): ./calc_gb.F90 \ |
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obj/$(F_MACH_DEFS) \ |
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+ |
obj/simulation_module$(O) \ |
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obj/force_globals$(O) |
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195 |
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obj/atype_module$(O): ./atype_module.F90 \ |
200 |
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201 |
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obj/simulation_module$(O): ./simulation_module.F90 \ |
202 |
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obj/$(F_MACH_DEFS) \ |
203 |
+ |
obj/vector_class$(O) \ |
204 |
+ |
obj/force_globals$(O) \ |
205 |
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obj/atype_module$(O) \ |
206 |
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obj/neighborLists$(O) |
207 |
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208 |
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obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
209 |
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obj/$(F_MACH_DEFS) \ |
210 |
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obj/atype_module$(O) \ |
211 |
+ |
obj/simulation_module$(O) \ |
212 |
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obj/vector_class$(O) \ |
213 |
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obj/force_globals$(O) |
214 |
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215 |
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obj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
216 |
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obj/$(F_MACH_DEFS) \ |
217 |
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obj/vector_class$(O) \ |
218 |
+ |
obj/simulation_module$(O) \ |
219 |
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obj/atype_module$(O) \ |
220 |
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obj/force_globals$(O) |
221 |
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222 |
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obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
223 |
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obj/$(F_MACH_DEFS) \ |
224 |
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obj/atype_module$(O) \ |
225 |
+ |
obj/simulation_module$(O) \ |
226 |
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obj/force_globals$(O) \ |
227 |
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obj/vector_class$(O) |
228 |
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262 |
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263 |
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MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
264 |
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MPIobj/$(F_MACH_DEFS) \ |
265 |
+ |
MPIobj/simulation_module$(O) \ |
266 |
|
MPIobj/mpiSimulation_module$(O) \ |
267 |
|
MPIobj/force_globals$(O) |
268 |
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|
269 |
|
MPIobj/calc_gb$(O): ./calc_gb.F90 \ |
270 |
|
MPIobj/$(F_MACH_DEFS) \ |
271 |
+ |
MPIobj/simulation_module$(O) \ |
272 |
|
MPIobj/mpiSimulation_module$(O) \ |
273 |
|
MPIobj/force_globals$(O) |
274 |
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|
280 |
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|
281 |
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MPIobj/simulation_module$(O): ./simulation_module.F90 \ |
282 |
|
MPIobj/$(F_MACH_DEFS) \ |
283 |
+ |
MPIobj/vector_class$(O) \ |
284 |
+ |
MPIobj/force_globals$(O) \ |
285 |
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MPIobj/mpiSimulation_module$(O) \ |
286 |
|
MPIobj/atype_module$(O) \ |
287 |
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MPIobj/neighborLists$(O) |
288 |
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|
289 |
|
MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
290 |
|
MPIobj/$(F_MACH_DEFS) \ |
291 |
+ |
MPIobj/simulation_module$(O) \ |
292 |
|
MPIobj/mpiSimulation_module$(O) \ |
293 |
|
MPIobj/atype_module$(O) \ |
294 |
|
MPIobj/vector_class$(O) \ |
296 |
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|
297 |
|
MPIobj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
298 |
|
MPIobj/$(F_MACH_DEFS) \ |
299 |
+ |
MPIobj/simulation_module$(O) \ |
300 |
|
MPIobj/mpiSimulation_module$(O) \ |
301 |
|
MPIobj/vector_class$(O) \ |
302 |
|
MPIobj/atype_module$(O) \ |
304 |
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|
305 |
|
MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
306 |
|
MPIobj/$(F_MACH_DEFS) \ |
307 |
+ |
MPIobj/simulation_module$(O) \ |
308 |
|
MPIobj/mpiSimulation_module$(O) \ |
309 |
|
MPIobj/atype_module$(O) \ |
310 |
|
MPIobj/force_globals$(O) \ |