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* @file Snapshot.cpp |
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* @author tlin |
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* @date 11/11/2004 |
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* @time 10:56am |
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* @version 1.0 |
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*/ |
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if( oldOrthoRhombic != frameData.orthoRhombic){ |
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< |
if( frameData.orthoRhombic ) { |
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sprintf( painCave.errMsg, |
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"OpenMD is switching from the default Non-Orthorhombic\n" |
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"\tto the faster Orthorhombic periodic boundary computations.\n" |
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"\tThis is usually a good thing, but if you want the\n" |
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"\tNon-Orthorhombic computations, make the orthoBoxTolerance\n" |
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"\tvariable ( currently set to %G ) smaller.\n", |
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orthoTolerance_); |
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painCave.severity = OPENMD_INFO; |
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simError(); |
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} |
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else { |
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sprintf( painCave.errMsg, |
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"OpenMD is switching from the faster Orthorhombic to the more\n" |
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"\tflexible Non-Orthorhombic periodic boundary computations.\n" |
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"\tThis is usually because the box has deformed under\n" |
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"\tNPTf integration. If you want to live on the edge with\n" |
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"\tthe Orthorhombic computations, make the orthoBoxTolerance\n" |
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"\tvariable ( currently set to %G ) larger.\n", |
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orthoTolerance_); |
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painCave.severity = OPENMD_WARNING; |
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simError(); |
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} |
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// It is finally time to suppress these warnings once and for |
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// all. They were annoying and not very informative. |
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// if( frameData.orthoRhombic ) { |
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// sprintf( painCave.errMsg, |
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// "OpenMD is switching from the default Non-Orthorhombic\n" |
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// "\tto the faster Orthorhombic periodic boundary computations.\n" |
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// "\tThis is usually a good thing, but if you want the\n" |
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// "\tNon-Orthorhombic computations, make the orthoBoxTolerance\n" |
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// "\tvariable ( currently set to %G ) smaller.\n", |
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// orthoTolerance_); |
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// painCave.severity = OPENMD_INFO; |
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// simError(); |
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// } |
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// else { |
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// sprintf( painCave.errMsg, |
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// "OpenMD is switching from the faster Orthorhombic to the more\n" |
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// "\tflexible Non-Orthorhombic periodic boundary computations.\n" |
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// "\tThis is usually because the box has deformed under\n" |
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// "\tNPTf integration. If you want to live on the edge with\n" |
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// "\tthe Orthorhombic computations, make the orthoBoxTolerance\n" |
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// "\tvariable ( currently set to %G ) larger.\n", |
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// orthoTolerance_); |
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// painCave.severity = OPENMD_WARNING; |
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// simError(); |
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// } |
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} |
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} |
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