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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1554 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-02-22 14:28:58 +00:00
parent 375a78b666
commit e3bb9d6333
5 changed files with 11 additions and 9 deletions
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6
src/Makefile
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@ -65,7 +65,7 @@ help:
@cp MAKE/Makefile.$@ Obj_$@/Makefile @cp MAKE/Makefile.$@ Obj_$@/Makefile
@cd Obj_$@; \ @cd Obj_$@; \
$(MAKE) "OBJ = $(OBJ)" "INC = $(INC)" "EXE = ../$(EXE)" ../$(EXE) $(MAKE) "OBJ = $(OBJ)" "INC = $(INC)" "EXE = ../$(EXE)" ../$(EXE)
@if [ -d Obj_$@ ]; then cd Obj_$@; rm $(SRC) $(INC) Makefile*; fi @if [ -d Obj_$@ ]; then cd Obj_$@; rm -f $(SRC) $(INC) Makefile*; fi
# Remove machine-specific object files # Remove machine-specific object files
@ -74,10 +74,10 @@ clean:
@echo 'make clean-machine delete object files for one machine' @echo 'make clean-machine delete object files for one machine'
clean-all: clean-all:
rm -r Obj_* rm -rf Obj_*
clean-%: clean-%:
rm -r Obj_$(@:clean-%=%) rm -rf Obj_$(@:clean-%=%)
# Create a tarball of src dir and packages # Create a tarball of src dir and packages

4
src/Makefile.lib
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@ -22,7 +22,7 @@ help:
for file in $$files; do head -1 $$file; done for file in $$files; do head -1 $$file; done
clean: clean:
rm -r Obj_* rm -rf Obj_*
.DEFAULT: .DEFAULT:
@test -f MAKE/Makefile.$@ @test -f MAKE/Makefile.$@
@ -31,4 +31,4 @@ clean:
@cp MAKE/Makefile.$@ Obj_$@/Makefile @cp MAKE/Makefile.$@ Obj_$@/Makefile
@cd Obj_$@; \ @cd Obj_$@; \
$(MAKE) "OBJ = $(OBJ)" "INC = $(INC)" "EXE = ../$(EXE)" lib $(MAKE) "OBJ = $(OBJ)" "INC = $(INC)" "EXE = ../$(EXE)" lib
@if [ -d Obj_$@ ]; then cd Obj_$@; rm $(SRC) $(INC) Makefile*; fi @if [ -d Obj_$@ ]; then cd Obj_$@; rm -f $(SRC) $(INC) Makefile*; fi

4
src/Makefile.list
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@ -22,7 +22,7 @@ help:
for file in $$files; do head -1 $$file; done for file in $$files; do head -1 $$file; done
clean: clean:
rm -r Obj_* rm -rf Obj_*
.DEFAULT: .DEFAULT:
@test -f MAKE/Makefile.$@ @test -f MAKE/Makefile.$@
@ -31,4 +31,4 @@ clean:
@cp MAKE/Makefile.$@ Obj_$@/Makefile @cp MAKE/Makefile.$@ Obj_$@/Makefile
@cd Obj_$@; \ @cd Obj_$@; \
$(MAKE) "OBJ = $(OBJ)" "INC = $(INC)" "EXE = ../$(EXE)" ../$(EXE) $(MAKE) "OBJ = $(OBJ)" "INC = $(INC)" "EXE = ../$(EXE)" ../$(EXE)
@if [ -d Obj_$@ ]; then cd Obj_$@; rm $(SRC) $(INC) Makefile*; fi @if [ -d Obj_$@ ]; then cd Obj_$@; rm -f $(SRC) $(INC) Makefile*; fi

2
src/pair_hybrid.cpp
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@ -435,6 +435,8 @@ double PairHybrid::init_one(int i, int j)
double cutmax = 0.0; double cutmax = 0.0;
if (tail_flag) etail_ij = ptail_ij = 0.0; if (tail_flag) etail_ij = ptail_ij = 0.0;
nmap[j][i] = nmap[i][j];
for (int k = 0; k < nmap[i][j]; k++) { for (int k = 0; k < nmap[i][j]; k++) {
map[j][i][k] = map[i][j][k]; map[j][i][k] = map[i][j][k];
double cut = styles[map[i][j][k]]->init_one(i,j); double cut = styles[map[i][j][k]]->init_one(i,j);

4
src/special.cpp
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@ -551,7 +551,7 @@ void Special::build()
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
concatenate onetwo, onethree, onefour into master atom->special list concatenate onetwo, onethree, onefour into master atom->special list
remove duplicates remove duplicates
convert nspecial[0], nspecial[1], nspecial[2] into cummulative counters convert nspecial[0], nspecial[1], nspecial[2] into cumulative counters
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void Special::combine() void Special::combine()
@ -646,7 +646,7 @@ void Special::combine()
// again use map to cull duplicates // again use map to cull duplicates
// exclude original atom explicitly // exclude original atom explicitly
// adjust nspecial[i] values to reflect removed duplicates // adjust nspecial[i] values to reflect removed duplicates
// nspecial[i][1] and nspecial[i][2] now become cummulative counters // nspecial[i][1] and nspecial[i][2] now become cumulative counters
for (i = 0; i < nlocal; i++) { for (i = 0; i < nlocal; i++) {