# | Line 26 | Line 26 | SimInfo::SimInfo(){ | |
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26 | SimInfo::SimInfo(){ | |
27 | excludes = NULL; | |
28 | n_constraints = 0; | |
29 | + | nZconstraints = 0; |
30 | n_oriented = 0; | |
31 | n_dipoles = 0; | |
32 | ndf = 0; | |
33 | ndfRaw = 0; | |
34 | + | nZconstraints = 0; |
35 | the_integrator = NULL; | |
36 | setTemp = 0; | |
37 | thermalTime = 0.0; | |
38 | currentTime = 0.0; | |
39 | rCut = 0.0; | |
40 | + | origRcut = -1.0; |
41 | ecr = 0.0; | |
42 | + | origEcr = -1.0; |
43 | est = 0.0; | |
44 | oldEcr = 0.0; | |
45 | oldRcut = 0.0; | |
# | Line 362 | Line 366 | int SimInfo::getNDF(){ | |
366 | ndf = ndf_local; | |
367 | #endif | |
368 | ||
369 | < | ndf = ndf - 3; |
369 | > | ndf = ndf - 3 - nZconstraints; |
370 | ||
371 | return ndf; | |
372 | } |
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