# | Line 1 | Line 1 | |
---|---|---|
1 | #include <iostream> | |
2 | < | #include <cmath> |
2 | > | #include <math.h> |
3 | ||
4 | #include <stdio.h> | |
5 | #include <stdlib.h> | |
# | Line 28 | Line 28 | InitializeFromFile::InitializeFromFile( char *in_name | |
28 | ||
29 | InitializeFromFile::InitializeFromFile( char *in_name ){ | |
30 | ||
31 | – | std::cerr << "Hello from Initialize from file.\n"; |
32 | – | |
31 | #ifdef IS_MPI | |
32 | if (worldRank == 0) { | |
33 | #endif | |
# | Line 74 | Line 72 | void InitializeFromFile :: readInit( SimInfo* the_simn | |
72 | ||
73 | void InitializeFromFile :: readInit( SimInfo* the_simnfo ){ | |
74 | ||
75 | < | int i, j, done, which_node, which_atom; // loop counter |
75 | > | int i, j; |
76 | > | |
77 | > | #ifdef IS_MPI |
78 | > | int done, which_node, which_atom; // loop counter |
79 | > | #endif //is_mpi |
80 | ||
81 | const int BUFFERSIZE = 2000; // size of the read buffer | |
82 | int n_atoms; // the number of atoms | |
83 | char read_buffer[BUFFERSIZE]; //the line buffer for reading | |
82 | – | #ifdef IS_MPI |
83 | – | char send_buffer[BUFFERSIZE]; |
84 | – | #endif |
84 | ||
85 | char *eof_test; // ptr to see when we reach the end of the file | |
86 | char *parseErr; | |
87 | < | int procIndex; |
87 | > | |
88 | double currTime; | |
89 | double boxMat[9]; | |
90 | double theBoxMat3[3][3]; | |
# | Line 105 | Line 104 | void InitializeFromFile :: readInit( SimInfo* the_simn | |
104 | ||
105 | n_atoms = atoi( read_buffer ); | |
106 | ||
108 | – | Atom **atoms = simnfo->atoms; |
109 | – | DirectionalAtom* dAtom; |
110 | – | |
107 | if( n_atoms != simnfo->n_atoms ){ | |
108 | sprintf( painCave.errMsg, | |
109 | "Initialize from File error. %s n_atoms, %d, " | |
# | Line 183 | Line 179 | void InitializeFromFile :: readInit( SimInfo* the_simn | |
179 | eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file); | |
180 | if( eof_test == NULL ){ | |
181 | sprintf( painCave.errMsg, | |
182 | < | "Error reading 1st line of %d \n ",c_in_name); |
182 | > | "Error reading 1st line of %s \n ",c_in_name); |
183 | haveError = 1; | |
184 | simError(); | |
185 | } | |
186 | ||
187 | n_atoms = atoi( read_buffer ); | |
188 | ||
193 | – | Atom **atoms = simnfo->atoms; |
194 | – | DirectionalAtom* dAtom; |
195 | – | |
189 | // Check to see that the number of atoms in the intial configuration file is the | |
190 | // same as declared in simBass. | |
191 | ||
# | Line 335 | Line 328 | char* InitializeFromFile::parseDumpLine(char* readLine | |
328 | Atom **atoms = simnfo->atoms; | |
329 | DirectionalAtom* dAtom; | |
330 | ||
331 | < | int j, n_atoms, atomIndex; |
331 | > | int n_atoms, atomIndex; |
332 | ||
333 | #ifdef IS_MPI | |
334 | + | int j; |
335 | + | |
336 | n_atoms = mpiSim->getTotAtoms(); | |
337 | atomIndex=-1; | |
338 | for (j=0; j < mpiSim->getMyNlocal(); j++) { | |
# | Line 546 | Line 541 | char* InitializeFromFile::parseBoxLine(char* readLine, | |
541 | double &time ){ | |
542 | ||
543 | char *foo; // the pointer to the current string token | |
549 | – | int j; |
544 | ||
545 | // set the string tokenizer | |
546 |
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+ | Added lines |
< | Changed lines |
> | Changed lines |