22 |
|
|
23 |
|
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARES) $(MPI_INCLUDES) |
24 |
|
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARES) |
25 |
< |
FFLAGS=$(FFLAGS_C) $(DECLARES) |
25 |
> |
FFLAGS=$(FFLAGS_C) |
26 |
|
DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS -I$(SPRNG_INC) $(MPI_INCLUDES) |
27 |
|
|
28 |
|
MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
53 |
|
|
54 |
|
# Then list what we have to compile |
55 |
|
|
56 |
< |
C_FILES = $(DIR)/mpiForceField.c |
56 |
> |
C_FILES = \ |
57 |
> |
$(DIR)/mpiForceField.c \ |
58 |
> |
$(DIR)/fInfo.c |
59 |
|
|
60 |
|
CXX_FILES = \ |
61 |
|
$(DIR)/Atom.cpp \ |
68 |
|
$(DIR)/Exclude.cpp \ |
69 |
|
$(DIR)/InitializeFromFile.cpp \ |
70 |
|
$(DIR)/LJFF.cpp \ |
71 |
+ |
$(DIR)/EAM_FF.cpp \ |
72 |
|
$(DIR)/SimInfo.cpp \ |
73 |
|
$(DIR)/SimSetup.cpp \ |
74 |
|
$(DIR)/StatWriter.cpp \ |
83 |
|
$(DIR)/ForceFields.cpp \ |
84 |
|
$(DIR)/mpiSimulation.cpp \ |
85 |
|
$(DIR)/Molecule.cpp \ |
86 |
< |
$(DIR)/NVT.cpp \ |
87 |
< |
$(DIR)/NPTi.cpp \ |
88 |
< |
$(DIR)/NPTf.cpp \ |
89 |
< |
$(DIR)/NPTim.cpp \ |
87 |
< |
$(DIR)/NPTfm.cpp |
86 |
> |
$(DIR)/SimState.cpp \ |
87 |
> |
$(DIR)/ZConstraint.cpp \ |
88 |
> |
$(DIR)/ZConsWriter.cpp \ |
89 |
> |
$(DIR)/GenericData.cpp |
90 |
|
|
89 |
– |
|
91 |
|
F90_FILES= \ |
92 |
|
$(DIR)/Linux_ifc_machdep.F90 \ |
93 |
+ |
$(DIR)/status_module.F90 \ |
94 |
|
$(DIR)/atype_module.F90 \ |
93 |
– |
$(DIR)/f_verlet_constrained.F90 \ |
95 |
|
$(DIR)/calc_dipole_dipole.F90 \ |
96 |
|
$(DIR)/calc_reaction_field.F90 \ |
97 |
|
$(DIR)/calc_LJ_FF.F90 \ |
98 |
+ |
$(DIR)/calc_eam.F90 \ |
99 |
|
$(DIR)/calc_sticky_pair.F90 \ |
100 |
|
$(DIR)/do_Forces.F90 \ |
101 |
|
$(DIR)/vector_class.F90 \ |
104 |
|
$(DIR)/neighborLists.F90 \ |
105 |
|
$(DIR)/calc_gb.F90 \ |
106 |
|
$(DIR)/force_globals.F90 \ |
107 |
< |
$(DIR)/mpiSimulation_module.F90 |
107 |
> |
$(DIR)/mpiSimulation_module.F90 \ |
108 |
> |
$(DIR)/notifyCutoffs.F90 |
109 |
|
|
110 |
|
DIR:=. |
111 |
|
C_SRCS := $(C_FILES) |
185 |
|
|
186 |
|
obj/vector_class$(O): ./vector_class.F90 |
187 |
|
|
188 |
+ |
obj/status_module$(O): ./status_module.F90 |
189 |
+ |
|
190 |
|
obj/force_globals$(O): ./force_globals.F90 \ |
191 |
|
obj/$(F_MACH_DEFS) |
192 |
|
|
198 |
|
obj/simulation_module$(O) \ |
199 |
|
obj/force_globals$(O) |
200 |
|
|
201 |
+ |
obj/calc_eam$(O): ./calc_eam.F90 \ |
202 |
+ |
obj/$(F_MACH_DEFS) \ |
203 |
+ |
obj/atype_module$(O) \ |
204 |
+ |
obj/simulation_module$(O) \ |
205 |
+ |
obj/vector_class$(O) \ |
206 |
+ |
obj/force_globals$(O) \ |
207 |
+ |
obj/status_module$(O) |
208 |
+ |
|
209 |
|
obj/calc_gb$(O): ./calc_gb.F90 \ |
210 |
|
obj/$(F_MACH_DEFS) \ |
211 |
|
obj/simulation_module$(O) \ |
253 |
|
obj/calc_dipole_dipole$(O) \ |
254 |
|
obj/calc_reaction_field$(O) \ |
255 |
|
obj/calc_gb$(O) \ |
256 |
< |
obj/force_globals$(O) |
256 |
> |
obj/force_globals$(O) \ |
257 |
> |
obj/vector_class$(O) |
258 |
> |
|
259 |
> |
obj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
260 |
> |
obj/$(F_MACH_DEFS) \ |
261 |
> |
obj/atype_module$(O) \ |
262 |
> |
obj/calc_LJ_FF$(O) \ |
263 |
> |
obj/calc_eam$(O) \ |
264 |
> |
obj/calc_dipole_dipole$(O) \ |
265 |
> |
obj/calc_reaction_field$(O) \ |
266 |
> |
obj/do_Forces$(O) |
267 |
|
|
268 |
|
obj/wrappers$(O): ./wrappers.F90 \ |
269 |
|
obj/$(F_MACH_DEFS) \ |
271 |
|
obj/simulation_module$(O) \ |
272 |
|
obj/calc_sticky_pair$(O) \ |
273 |
|
obj/calc_gb$(O) \ |
274 |
< |
obj/do_Forces$(O) |
274 |
> |
obj/do_Forces$(O) \ |
275 |
> |
obj/notifyCutoffs$(O) |
276 |
|
|
277 |
+ |
|
278 |
+ |
|
279 |
+ |
|
280 |
+ |
|
281 |
+ |
|
282 |
|
#MPI dependencies: |
283 |
|
|
284 |
|
MPIobj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
285 |
|
|
286 |
|
MPIobj/vector_class$(O): ./vector_class.F90 |
287 |
|
|
288 |
+ |
MPIobj/status_module$(O): ./status_module.F90 |
289 |
+ |
|
290 |
|
MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 |
291 |
|
|
292 |
|
MPIobj/force_globals$(O): ./force_globals.F90 \ |
309 |
|
MPIobj/mpiSimulation_module$(O) \ |
310 |
|
MPIobj/force_globals$(O) |
311 |
|
|
312 |
+ |
MPIobj/calc_eam$(O): ./calc_eam.F90 \ |
313 |
+ |
MPIobj/$(F_MACH_DEFS) \ |
314 |
+ |
MPIobj/atype_module$(O) \ |
315 |
+ |
MPIobj/simulation_module$(O) \ |
316 |
+ |
MPIobj/mpiSimulation_module$(O) \ |
317 |
+ |
MPIobj/vector_class$(O) \ |
318 |
+ |
MPIobj/force_globals$(O) \ |
319 |
+ |
MPIobj/status_module$(O) |
320 |
+ |
|
321 |
+ |
|
322 |
|
MPIobj/atype_module$(O): ./atype_module.F90 \ |
323 |
|
MPIobj/$(F_MACH_DEFS) \ |
324 |
|
MPIobj/vector_class$(O) |
369 |
|
MPIobj/calc_dipole_dipole$(O) \ |
370 |
|
MPIobj/calc_reaction_field$(O) \ |
371 |
|
MPIobj/calc_gb$(O) \ |
372 |
< |
MPIobj/force_globals$(O) |
372 |
> |
MPIobj/force_globals$(O) \ |
373 |
> |
MPIobj/vector_class$(O) |
374 |
|
|
375 |
+ |
MPIobj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
376 |
+ |
MPIobj/$(F_MACH_DEFS) \ |
377 |
+ |
MPIobj/atype_module$(O) \ |
378 |
+ |
MPIobj/calc_LJ_FF$(O) \ |
379 |
+ |
MPIobj/calc_eam$(O) \ |
380 |
+ |
MPIobj/calc_dipole_dipole$(O) \ |
381 |
+ |
MPIobj/calc_reaction_field$(O) \ |
382 |
+ |
MPIobj/do_Forces$(O) |
383 |
+ |
|
384 |
|
MPIobj/wrappers$(O): ./wrappers.F90 \ |
385 |
|
MPIobj/$(F_MACH_DEFS) \ |
386 |
|
MPIobj/mpiSimulation_module$(O) \ |
388 |
|
MPIobj/simulation_module$(O) \ |
389 |
|
MPIobj/calc_sticky_pair$(O) \ |
390 |
|
MPIobj/calc_gb$(O) \ |
391 |
< |
MPIobj/do_Forces$(O) |
391 |
> |
MPIobj/do_Forces$(O) \ |
392 |
> |
MPIobj/notifyCutoffs$(O) |