# | Line 83 | Line 83 | void InitializeFromFile :: readInit( SimInfo* the_simn | |
---|---|---|
83 | char *eof_test; // ptr to see when we reach the end of the file | |
84 | char *parseErr; | |
85 | int procIndex; | |
86 | + | double currTime; |
87 | double boxMat[9]; | |
88 | double theBoxMat3[3][3]; | |
89 | ||
# | Line 123 | Line 124 | void InitializeFromFile :: readInit( SimInfo* the_simn | |
124 | simError(); | |
125 | } | |
126 | ||
127 | < | parseErr = parseBoxLine( read_buffer, boxMat ); |
127 | > | parseErr = parseBoxLine( read_buffer, boxMat, currTime ); |
128 | if( parseErr != NULL ){ | |
129 | strcpy( painCave.errMsg, parseErr ); | |
130 | painCave.isFatal = 1; | |
# | Line 134 | Line 135 | void InitializeFromFile :: readInit( SimInfo* the_simn | |
135 | for(j=0;j<3;j++) theBoxMat3[i][j] = boxMat[3*j+i]; | |
136 | ||
137 | simnfo->setBoxM( theBoxMat3 ); | |
138 | + | simnfo->setTime( currTime ); |
139 | ||
140 | ||
141 | for( i=0; i < n_atoms; i++){ | |
# | Line 210 | Line 212 | void InitializeFromFile :: readInit( SimInfo* the_simn | |
212 | simError(); | |
213 | } | |
214 | ||
215 | < | parseErr = parseBoxLine( read_buffer, boxMat ); |
215 | > | parseErr = parseBoxLine( read_buffer, boxMat, currTime ); |
216 | if( parseErr != NULL ){ | |
217 | strcpy( painCave.errMsg, parseErr ); | |
218 | haveError = 1; | |
# | Line 218 | Line 220 | void InitializeFromFile :: readInit( SimInfo* the_simn | |
220 | } | |
221 | ||
222 | MPI_Bcast(boxMat, 9, MPI_DOUBLE, 0, MPI_COMM_WORLD ); | |
223 | + | MPI_Bcast(&currTime, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD ); |
224 | ||
225 | if(haveError) nodeZeroError(); | |
226 | ||
# | Line 272 | Line 275 | void InitializeFromFile :: readInit( SimInfo* the_simn | |
275 | } else { | |
276 | ||
277 | MPI_Bcast(boxMat, 9, MPI_DOUBLE, 0, MPI_COMM_WORLD); | |
278 | + | MPI_Bcast(&currTime, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD); |
279 | ||
280 | done = 0; | |
281 | while (!done) { | |
# | Line 309 | Line 313 | void InitializeFromFile :: readInit( SimInfo* the_simn | |
313 | for(j=0;j<3;j++) theBoxMat3[i][j] = boxMat[3*j+i]; | |
314 | ||
315 | simnfo->setBoxM( theBoxMat3 ); | |
316 | + | simnfo->setTime( currTime ); |
317 | ||
318 | ||
319 | #endif | |
# | Line 539 | Line 544 | char* InitializeFromFile::parseDumpLine(char* readLine | |
544 | } | |
545 | ||
546 | ||
547 | < | char* InitializeFromFile::parseBoxLine(char* readLine, double boxMat[9]){ |
547 | > | char* InitializeFromFile::parseBoxLine(char* readLine, double boxMat[9], |
548 | > | double &time ){ |
549 | ||
550 | char *foo; // the pointer to the current string token | |
551 | int j; | |
# | Line 555 | Line 561 | char* InitializeFromFile::parseBoxLine(char* readLine, | |
561 | c_in_name ); | |
562 | return strdup( painCave.errMsg ); | |
563 | } | |
564 | < | simnfo->setTime( atof( foo ) ); |
564 | > | time = atof( foo ); |
565 | ||
566 | // get the Hx vector | |
567 |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |