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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15084 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2016-05-31 16:38:36 +00:00
parent 876b033ea8
commit ac14f5bc36
18 changed files with 34 additions and 27 deletions
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2
examples/COUPLE/fortran2/makefile
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@ -13,7 +13,7 @@ CXX = mpicxx # replace with your C++ compiler
# Flags for Fortran compiler, C++ compiler, and C preprocessor, respectively # Flags for Fortran compiler, C++ compiler, and C preprocessor, respectively
FFLAGS = -O2 -fPIC FFLAGS = -O2 -fPIC
CXXFLAGS = -O2 -fPIC CXXFLAGS = -O2 -fPIC
CPPFLAGS = CPPFLAGS = -DOMPI_SKIP_MPICXX=1 -DMPICH_SKIP_MPICXX
all : liblammps_fortran.a liblammps_fortran.so all : liblammps_fortran.a liblammps_fortran.so

6
examples/COUPLE/library/Makefile.g++
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@ -4,10 +4,10 @@ SHELL = /bin/sh
# System-specific settings # System-specific settings
CC = g++ CC = mpicxx
CCFLAGS = -g -O -DMPICH_IGNORE_CXX_SEEK CCFLAGS = -g -O -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1
DEPFLAGS = -M DEPFLAGS = -M
LINK = g++ LINK = mpicxx
LINKFLAGS = -g -O LINKFLAGS = -g -O
ARCHIVE = ar ARCHIVE = ar
ARFLAGS = -rc ARFLAGS = -rc

6
examples/COUPLE/library/error.cpp
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@ -1,6 +1,6 @@
#include "mpi.h" #include <mpi.h>
#include "stdlib.h" #include <stdio.h>
#include "stdio.h" #include <stdlib.h>
#include "error.h" #include "error.h"
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

2
examples/COUPLE/library/error.h
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@ -1,7 +1,7 @@
#ifndef ERROR_H #ifndef ERROR_H
#define ERROR_H #define ERROR_H
#include "mpi.h" #include <mpi.h>
class Error { class Error {
public: public:

4
examples/COUPLE/library/files.cpp
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@ -1,5 +1,5 @@
#include "stdio.h" #include <stdio.h>
#include "string.h" #include <string.h>
#include "files.h" #include "files.h"
#define MAXLINE 256 #define MAXLINE 256

3
examples/COUPLE/library/files.h
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@ -1,2 +1,5 @@
#ifndef FILES_H
#define FILES_H
void replace(char *, char *, int, char **); void replace(char *, char *, int, char **);
char **extract(char *, char *, int, char **); char **extract(char *, char *, int, char **);
#endif

2
examples/COUPLE/library/irregular.h
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@ -1,7 +1,7 @@
#ifndef IRREGULAR_H #ifndef IRREGULAR_H
#define IRREGULAR_H #define IRREGULAR_H
#include "mpi.h" #include <mpi.h>
class Irregular { class Irregular {
public: public:

5
examples/COUPLE/library/lammps_data_write.cpp
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@ -1,5 +1,6 @@
#include "stdlib.h" #include <mpi.h>
#include "string.h" #include <stdlib.h>
#include <string.h>
#include "lammps_data_write.h" #include "lammps_data_write.h"
#include "memory.h" #include "memory.h"
#include "error.h" #include "error.h"

2
examples/COUPLE/library/lammps_data_write.h
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@ -1,8 +1,8 @@
#ifndef LAMMPS_DATA_WRITE_H #ifndef LAMMPS_DATA_WRITE_H
#define LAMMPS_DATA_WRITE_H #define LAMMPS_DATA_WRITE_H
#include <stdio.h>
#include "send2one.h" #include "send2one.h"
#include "stdio.h"
class LAMMPSDataWrite : public Send2One { class LAMMPSDataWrite : public Send2One {
public: public:

4
examples/COUPLE/library/many2many.cpp
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@ -1,4 +1,6 @@
#include "mpi.h" #include <mpi.h>
#include <stdlib.h>
#include <stdio.h>
#include "many2many.h" #include "many2many.h"
#include "irregular.h" #include "irregular.h"
#include "memory.h" #include "memory.h"

2
examples/COUPLE/library/many2many.h
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@ -1,7 +1,7 @@
#ifndef MANY2MANY_H #ifndef MANY2MANY_H
#define MANY2MANY_H #define MANY2MANY_H
#include "mpi.h" #include <mpi.h>
class Many2Many { class Many2Many {
public: public:

2
examples/COUPLE/library/many2one.h
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@ -1,7 +1,7 @@
#ifndef MANY2ONE_H #ifndef MANY2ONE_H
#define MANY2ONE_H #define MANY2ONE_H
#include "mpi.h" #include <mpi.h>
class Many2One { class Many2One {
public: public:

6
examples/COUPLE/library/memory.cpp
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@ -1,6 +1,6 @@
#include "mpi.h" #include <mpi.h>
#include "stdlib.h" #include <stdlib.h>
#include "stdio.h" #include <stdio.h>
#include "memory.h" #include "memory.h"
#include "error.h" #include "error.h"

2
examples/COUPLE/library/memory.h
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@ -1,7 +1,7 @@
#ifndef MEMORY_H #ifndef MEMORY_H
#define MEMORY_H #define MEMORY_H
#include "mpi.h" #include <mpi.h>
class Memory { class Memory {
public: public:

3
examples/COUPLE/library/one2many.cpp
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@ -1,4 +1,5 @@
#include "mpi.h" #include <mpi.h>
#include <stdlib.h>
#include "one2many.h" #include "one2many.h"
#include "memory.h" #include "memory.h"

2
examples/COUPLE/library/one2many.h
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@ -1,7 +1,7 @@
#ifndef ONE2MANY_H #ifndef ONE2MANY_H
#define ONE2MANY_H #define ONE2MANY_H
#include "mpi.h" #include <mpi.h>
#include <map> #include <map>

2
examples/COUPLE/library/send2one.h
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@ -1,7 +1,7 @@
#ifndef SEND2ONE_H #ifndef SEND2ONE_H
#define SEND2ONE_H #define SEND2ONE_H
#include "mpi.h" #include <mpi.h>
class Send2One { class Send2One {
public: public:

4
examples/KAPPA/in.heat
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@ -66,8 +66,8 @@ run 10000
compute ke all ke/atom compute ke all ke/atom
variable temp atom c_ke/1.5 variable temp atom c_ke/1.5
fix 2 all ave/spatial 10 100 1000 z lower 0.05 v_temp & compute layers all chunk/atom bin/1d z lower 0.05 units reduced
file profile.heat units reduced fix 2 all ave/chunk 10 100 1000 layers v_temp file profile.heat
variable tdiff equal f_2[11][3]-f_2[1][3] variable tdiff equal f_2[11][3]-f_2[1][3]
fix ave all ave/time 1 1 1000 v_tdiff ave running start 13000 fix ave all ave/time 1 1 1000 v_tdiff ave running start 13000