git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@179 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -1879,9 +1879,9 @@ void Data::write(FILE *fp)
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int ix,iy,iz;
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int ix,iy,iz;
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for (int i = 0; i < natoms; i++) {
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for (int i = 0; i < natoms; i++) {
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ix = image[i]%1000 - 500;
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ix = (image[i] & 1023) - 512;
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iy = (image[i]/1000)%1000 - 500;
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iy = (image[i] >> 10 & 1023) - 512;
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iz = image[i]/1000000 - 500;
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iz = (image[i] >> 20) - 512;
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fprintf(fp,"%d",tag[i]);
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fprintf(fp,"%d",tag[i]);
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if (molecular) fprintf(fp," %d",molecule[i]);
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if (molecular) fprintf(fp," %d",molecule[i]);
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