| 49 |
|
# MODDIRFLAG |
| 50 |
|
MODDIRFLAG=@MODDIRFLAG@ |
| 51 |
|
|
| 52 |
– |
# MPI F90 Module path |
| 53 |
– |
MPI_F90_MODS=@MPI_F90_MODS@ |
| 54 |
– |
|
| 52 |
|
# Compiler dependent Fortran module |
| 53 |
|
FLIBS_EXTRA = @F90LIBS@ |
| 54 |
|
|
| 124 |
|
# include paths starting with "." are all relative to the SUBDIRS!!! |
| 125 |
|
|
| 126 |
|
INCLUDES= -I.. -I../../libBASS $(SPRNG_INC) |
| 127 |
< |
MPI_INCLUDES= -I$(MPI_INC) $(MODDIRFLAG)$(MPI_F90_MODS) |
| 127 |
> |
MPI_INCLUDES= -I$(MPI_INC) |
| 128 |
|
F90_INCLUDES= -I/usr/local/include |
| 129 |
|
|
| 130 |
|
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) $(MPI_INCLUDES) $(FUNCWRAP) |
| 178 |
|
$(DIR)/InitializeFromFile.cpp \ |
| 179 |
|
$(DIR)/LJFF.cpp \ |
| 180 |
|
$(DIR)/EAM_FF.cpp \ |
| 181 |
+ |
$(DIR)/WATER.cpp \ |
| 182 |
|
$(DIR)/SimInfo.cpp \ |
| 183 |
|
$(DIR)/SimSetup.cpp \ |
| 184 |
|
$(DIR)/StatWriter.cpp \ |
| 191 |
|
$(DIR)/randomSPRNG.cpp \ |
| 192 |
|
$(DIR)/fortranWrappers.cpp \ |
| 193 |
|
$(DIR)/ForceFields.cpp \ |
| 196 |
– |
$(DIR)/mpiSimulation.cpp \ |
| 194 |
|
$(DIR)/Molecule.cpp \ |
| 195 |
|
$(DIR)/NPTf.cpp \ |
| 196 |
|
$(DIR)/NPTi.cpp \ |
| 200 |
|
$(DIR)/ZConstraint.cpp \ |
| 201 |
|
$(DIR)/ZConsWriter.cpp \ |
| 202 |
|
$(DIR)/mdProfile.cpp \ |
| 203 |
< |
$(DIR)/GenericData.cpp |
| 203 |
> |
$(DIR)/GenericData.cpp \ |
| 204 |
> |
$(DIR)/mpiSimulation.cpp \ |
| 205 |
> |
$(DIR)/NLModel0.cpp \ |
| 206 |
> |
$(DIR)/NLModel1.cpp \ |
| 207 |
> |
$(DIR)/Constraint.cpp \ |
| 208 |
> |
$(DIR)/SimpleBoundCons.cpp \ |
| 209 |
> |
$(DIR)/LinearCons.cpp \ |
| 210 |
> |
$(DIR)/NonlinearCons.cpp \ |
| 211 |
> |
$(DIR)/ConstraintList.cpp \ |
| 212 |
> |
$(DIR)/Minimizer1D.cpp \ |
| 213 |
> |
$(DIR)/ConjugateMinimizer.cpp \ |
| 214 |
> |
$(DIR)/Utility.cpp \ |
| 215 |
> |
$(DIR)/OOPSEMinimizerBase.cpp |
| 216 |
|
|
| 217 |
|
F90_FILES= \ |
| 218 |
|
$(DIR)/definitions_module.F90 \ |
| 219 |
|
$(DIR)/status_module.F90 \ |
| 220 |
|
$(DIR)/atype_module.F90 \ |
| 221 |
|
$(DIR)/calc_dipole_dipole.F90 \ |
| 222 |
+ |
$(DIR)/calc_charge_charge.F90 \ |
| 223 |
|
$(DIR)/calc_reaction_field.F90 \ |
| 224 |
|
$(DIR)/calc_LJ_FF.F90 \ |
| 225 |
|
$(DIR)/calc_eam.F90 \ |
| 233 |
|
$(DIR)/force_globals.F90 \ |
| 234 |
|
$(DIR)/mpiSimulation_module.F90 \ |
| 235 |
|
$(DIR)/notifyCutoffs.F90 \ |
| 236 |
< |
$(DIR)/oopseMPI_module.F90 \ |
| 237 |
< |
$(DIR)/timing.F90 |
| 236 |
> |
$(DIR)/timing.F90 \ |
| 237 |
> |
$(DIR)/oopseMPI_module.F90 |
| 238 |
|
|
| 239 |
|
DIR:=. |
| 240 |
|
C_SRCS := $(C_FILES) |
| 368 |
|
obj/force_globals$(O) |
| 369 |
|
|
| 370 |
|
obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
| 371 |
+ |
obj/definitions_module$(O) \ |
| 372 |
+ |
obj/atype_module$(O) \ |
| 373 |
+ |
obj/simulation_module$(O) \ |
| 374 |
+ |
obj/force_globals$(O) \ |
| 375 |
+ |
obj/vector_class$(O) |
| 376 |
+ |
|
| 377 |
+ |
obj/calc_charge_charge$(O): ./calc_charge_charge.F90 \ |
| 378 |
|
obj/definitions_module$(O) \ |
| 379 |
|
obj/atype_module$(O) \ |
| 380 |
|
obj/simulation_module$(O) \ |
| 498 |
|
MPIobj/force_globals$(O) \ |
| 499 |
|
MPIobj/vector_class$(O) |
| 500 |
|
|
| 501 |
+ |
MPIobj/calc_charge_charge$(O): ./calc_charge_charge.F90 \ |
| 502 |
+ |
MPIobj/definitions_module$(O) \ |
| 503 |
+ |
MPIobj/atype_module$(O) \ |
| 504 |
+ |
MPIobj/simulation_module$(O) \ |
| 505 |
+ |
MPIobj/mpiSimulation_module$(O) \ |
| 506 |
+ |
MPIobj/force_globals$(O) \ |
| 507 |
+ |
MPIobj/vector_class$(O) |
| 508 |
+ |
|
| 509 |
|
MPIobj/do_Forces$(O): ./do_Forces.F90 \ |
| 510 |
|
MPIobj/definitions_module$(O) \ |
| 511 |
|
MPIobj/mpiSimulation_module$(O) \ |
