Comparing trunk/OOPSE-4/samples/water/tip3p_ice/water.md (file contents):
Revision 2342 by chrisfen, Tue Oct 4 19:32:58 2005 UTC vs.
Revision 2349 by chrisfen, Thu Oct 6 18:44:32 2005 UTC
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#define _WATER_MD_ |
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molecule{ |
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name = "Cl-"; |
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nAtoms = 1; |
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atom[0]{ |
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type = "Cl-"; |
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position(0.0, 0.0, 0.0); |
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} |
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} |
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|
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molecule{ |
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name = "Na+"; |
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nAtoms = 1; |
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atom[0]{ |
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type = "Na+"; |
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position(0.0, 0.0, 0.0); |
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} |
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} |
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|
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molecule{ |
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name = "SSD_E"; |
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nAtoms = 1; |
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atom[0]{ |
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members(0, 1, 2); |
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} |
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// nCutoffGroups = 1; |
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// cutoffGroup[0]{ |
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// nMembers = 3; |
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// members(0, 1, 2); |
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// } |
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nCutoffGroups = 1; |
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cutoffGroup[0]{ |
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nMembers = 3; |
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members(0, 1, 2); |
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} |
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} |
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molecule{ |
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