Merge branch 'master' of deanwei:ansijing/prodata (c962ddf1) · Commits · DeAn Wei / prodata

CMakeLists.txt

+2 −2

Original line number	Diff line number	Diff line
		@@ -8,8 +8,8 @@ Message (STATUS "PRODATA_BINARY_DIR = " ${PRODATA_BINARY_DIR})
		Message (STATUS "PRODATA_SOURCE_DIR = " ${PRODATA_SOURCE_DIR})
		Message (STATUS "HOME = " $ENV{HOME})

		Set(CMAKE_C_COMPILER "mpicc")
		Set(CMAKE_CXX_COMPILER "mpicxx")
		Set(CMAKE_C_COMPILER "gcc")
		Set(CMAKE_CXX_COMPILER "g++")
		set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS}")
		set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")

+1 −1

Original line number	Diff line number	Diff line
		@@ -20,6 +20,6 @@
		#include <numeric>


		void HandleExtendedDislocation(InArgs_t *inArgs);
		void HandleExtendedDislocation_DDD(InArgs_t *inArgs);

		#endif

+6 −1

Original line number	Diff line number	Diff line
		@@ -35,6 +35,8 @@ typedef struct {
		int type;

		vector<string> inpFiles, outFiles;
		vector<string> auxFiles;

		vector<Var_t> priVars;
		}InArgs_t;

		@@ -63,12 +65,14 @@ typedef enum{
		OPT_SEED,
		OPT_TYPE,
		OPT_PRIVATEVALS,
		OPT_AUXFILE,
		OPT_MAX
		}OPT_t;

		typedef enum{
		FTYPE_AVERAGE_LINES = 0,
		FTYPE_PROC_EXTEND_DIS,
		FTYPE_PROC_EXTEND_DIS_DDD,
		FTYPE_PROC_EXTEND_DIS_MD,
		FTYPE_MAX
		}FTYPE_t;

		@@ -94,4 +98,5 @@ typedef struct {
		vector<vector<double> > data;
		}LineList_t;


		#endif

0 → 100644

+41 −0

Original line number	Diff line number	Diff line
		#ifndef _MD_h
		#define _MD_h

		#include <stdio.h>
		#include <stdarg.h>
		#include <unistd.h>
		#include <errno.h>
		#include <time.h>
		#include <vector>
		#include <string>
		#include <cstring>
		#include <vector>
		#include <iostream>
		#include <fstream>
		#include <math.h>
		#include <sstream>

		#include <stdlib.h>
		#include <algorithm>
		#include <numeric>

		typedef struct{
		int id, type;
		double x, y, z;

		vector<double> vars;
		}Atom_t;

		typedef struct {
		int timestep;
		int atoms;
		real8 box[6];

		vector<string> bounds;
		vector<string> variables;
		vector<Atom_t> atom;
		}MgData_t;

		void HandleExtendedDislocation_MD(InArgs_t *inArgs);

		#endif

+3 −0

Original line number	Diff line number	Diff line
		@@ -20,10 +20,13 @@
		#include <numeric>

		#include <iomanip>
		#include "MD.h"


		int ReadTecplotNormalData(string &file, Table_t &table, string &secLine);
		void WriteTecplotNormalData(const LineList_t &list, const string &file,
		double precision = 6);
		int ReadMGDataFile(const string &file, MgData_t &mgdata);
		int ReadDataFromMDLogFile(const vector<string> &files, LineList_t &list);

		#endif