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improve detection of triclinic box trajectory files

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Axel Kohlmeyer
2024-07-25 16:59:41 -04:00
parent ff27bb8865
commit 26503c948a
1 changed files with 1 additions and 1 deletions
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src/reader_native.cpp
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@ -254,7 +254,7 @@ bigint ReaderNative::read_header(double box[3][3], int &boxinfo, int &triclinic,
triclinic = 0; triclinic = 0;
box[0][2] = box[1][2] = box[2][2] = 0.0; box[0][2] = box[1][2] = box[2][2] = 0.0;
read_lines(1); read_lines(1);
if (line[strlen("ITEM: BOX BOUNDS ")] == 'x') triclinic = 1; if (utils::strmatch(line,"ITEM: BOX BOUNDS.*xy\\s+xz\\s+yz")) triclinic = 1;
try { try {
read_lines(1); read_lines(1);