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whitespace fixes

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This commit is contained in:
Axel Kohlmeyer
2021-02-08 21:45:58 -05:00
parent 11866dfcb4
commit d2b3677d6f
3 changed files with 5 additions and 5 deletions
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6
doc/src/thermo_style.rst
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@ -23,7 +23,7 @@ Syntax
atoms, temp, press, pe, ke, etotal, atoms, temp, press, pe, ke, etotal,
evdwl, ecoul, epair, ebond, eangle, edihed, eimp, evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
emol, elong, etail, emol, elong, etail,
enthalpy, ecouple, econserve, enthalpy, ecouple, econserve,
vol, density, lx, ly, lz, xlo, xhi, ylo, yhi, zlo, zhi, vol, density, lx, ly, lz, xlo, xhi, ylo, yhi, zlo, zhi,
xy, xz, yz, xlat, ylat, zlat, xy, xz, yz, xlat, ylat, zlat,
bonds, angles, dihedrals, impropers, bonds, angles, dihedrals, impropers,
@ -61,8 +61,8 @@ Syntax
elong = long-range kspace energy elong = long-range kspace energy
etail = van der Waals energy long-range tail correction etail = van der Waals energy long-range tail correction
enthalpy = enthalpy (etotal + press\*vol) enthalpy = enthalpy (etotal + press\*vol)
ecouple = cumulative energy change due to thermo/baro statting fixes ecouple = cumulative energy change due to thermo/baro statting fixes
econserve = pe + ke + ecouple = etotal + ecouple econserve = pe + ke + ecouple = etotal + ecouple
vol = volume vol = volume
density = mass density of system density = mass density of system
lx,ly,lz = box lengths in x,y,z lx,ly,lz = box lengths in x,y,z

2
src/USER-MISC/pair_agni.h
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@ -50,7 +50,7 @@ class PairAGNI : public Pair {
int *elem2param; // mapping from element pairs to parameters int *elem2param; // mapping from element pairs to parameters
int *map; // mapping from atom types to elements int *map; // mapping from atom types to elements
int nparams; // # of stored parameter sets int nparams; // # of stored parameter sets
int atomic_feature_version; // version of fingerprint int atomic_feature_version; // version of fingerprint
Param *params; // parameter set for an I-J interaction Param *params; // parameter set for an I-J interaction
virtual void allocate(); virtual void allocate();
void read_file(char *); void read_file(char *);

2
src/fix_ave_correlate.cpp
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@ -74,7 +74,7 @@ FixAveCorrelate::FixAveCorrelate(LAMMPS * lmp, int narg, char **arg):
int iarg = 0; int iarg = 0;
while (iarg < nargnew) { while (iarg < nargnew) {
ArgInfo argi(arg[iarg]); ArgInfo argi(arg[iarg]);
if (argi.get_type() == ArgInfo::NONE) break; if (argi.get_type() == ArgInfo::NONE) break;
if ((argi.get_type() == ArgInfo::UNKNOWN) || (argi.get_dim() > 1)) if ((argi.get_type() == ArgInfo::UNKNOWN) || (argi.get_dim() > 1))
error->all(FLERR,"Invalid fix ave/correlate command"); error->all(FLERR,"Invalid fix ave/correlate command");