whitespace fixes
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@ -23,7 +23,7 @@ Syntax
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atoms, temp, press, pe, ke, etotal,
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evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
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emol, elong, etail,
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enthalpy, ecouple, econserve,
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enthalpy, ecouple, econserve,
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vol, density, lx, ly, lz, xlo, xhi, ylo, yhi, zlo, zhi,
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xy, xz, yz, xlat, ylat, zlat,
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bonds, angles, dihedrals, impropers,
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@ -61,8 +61,8 @@ Syntax
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elong = long-range kspace energy
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etail = van der Waals energy long-range tail correction
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enthalpy = enthalpy (etotal + press\*vol)
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ecouple = cumulative energy change due to thermo/baro statting fixes
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econserve = pe + ke + ecouple = etotal + ecouple
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ecouple = cumulative energy change due to thermo/baro statting fixes
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econserve = pe + ke + ecouple = etotal + ecouple
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vol = volume
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density = mass density of system
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lx,ly,lz = box lengths in x,y,z
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@ -50,7 +50,7 @@ class PairAGNI : public Pair {
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int *elem2param; // mapping from element pairs to parameters
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int *map; // mapping from atom types to elements
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int nparams; // # of stored parameter sets
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int atomic_feature_version; // version of fingerprint
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int atomic_feature_version; // version of fingerprint
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Param *params; // parameter set for an I-J interaction
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virtual void allocate();
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void read_file(char *);
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@ -74,7 +74,7 @@ FixAveCorrelate::FixAveCorrelate(LAMMPS * lmp, int narg, char **arg):
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int iarg = 0;
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while (iarg < nargnew) {
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ArgInfo argi(arg[iarg]);
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if (argi.get_type() == ArgInfo::NONE) break;
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if ((argi.get_type() == ArgInfo::UNKNOWN) || (argi.get_dim() > 1))
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error->all(FLERR,"Invalid fix ave/correlate command");
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