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Working continuum metric calculation code

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Alex Selimov 2020-10-20 01:03:31 -04:00
parent 95e2ad0b4d
commit 6e08517697
8 changed files with 531 additions and 10 deletions
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5
src/Makefile
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@ -1,9 +1,9 @@
FC=ifort
FFLAGS=-mcmodel=large -g -O0 -stand f08 -fpe0 -traceback -check bounds,uninit -warn all -implicitnone -no-wrap-margin -heap-arrays
#FFLAGS=-mcmodel=large -Ofast -no-wrap-margin -heap-arrays
MODES=mode_create.o mode_merge.o mode_convert.o
MODES=mode_create.o mode_merge.o mode_convert.o mode_metric.o
OPTIONS=opt_disl.o opt_group.o opt_orient.o opt_delete.o opt_deform.o opt_redef_box.o
OBJECTS=main.o elements.o io.o subroutines.o functions.o atoms.o call_mode.o box.o $(MODES) $(OPTIONS) call_option.o sorts.o
OBJECTS=main.o elements.o io.o subroutines.o functions.o atoms.o call_mode.o box.o neighbors.o $(MODES) $(OPTIONS) call_option.o sorts.o
.SUFFIXES:
.SUFFIXES: .c .f .f90 .F90 .o
@ -42,3 +42,4 @@ elements.o : sorts.o
$(MODES) $(OPTIONS) subroutines.o io.o : atoms.o box.o
$(MODES) main.o : io.o
testfuncs.o elements.o mode_create.o $(OPTIONS) $(MODES): subroutines.o
opt_delete.o mode_metric.o : neighbors.o