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add fix mscg command, example, lib

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This commit is contained in:
Steve Plimpton
2017-01-09 13:36:40 -07:00
parent 51fa33a407
commit c31f1e9f22
42 changed files with 23294 additions and 125 deletions
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9
src/reader_native.cpp
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@ -24,7 +24,7 @@ using namespace LAMMPS_NS;
// also in read_dump.cpp
enum{ID,TYPE,X,Y,Z,VX,VY,VZ,Q,IX,IY,IZ};
enum{ID,TYPE,X,Y,Z,VX,VY,VZ,Q,IX,IY,IZ,FX,FY,FZ};
enum{UNSET,NOSCALE_NOWRAP,NOSCALE_WRAP,SCALE_NOWRAP,SCALE_WRAP};
/* ---------------------------------------------------------------------- */
@ -254,6 +254,13 @@ bigint ReaderNative::read_header(double box[3][3], int &triclinic,
else if (fieldtype[i] == VZ)
fieldindex[i] = find_label("vz",nwords,labels);
else if (fieldtype[i] == FX)
fieldindex[i] = find_label("fx",nwords,labels);
else if (fieldtype[i] == FY)
fieldindex[i] = find_label("fy",nwords,labels);
else if (fieldtype[i] == FZ)
fieldindex[i] = find_label("fz",nwords,labels);
else if (fieldtype[i] == Q)
fieldindex[i] = find_label("q",nwords,labels);