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whitespace cleanup

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This commit is contained in:
Axel Kohlmeyer
2017-08-18 14:24:09 -04:00
parent bf7cff73d4
commit d671a04274
1 changed files with 10 additions and 10 deletions
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20
src/molecule.cpp
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@ -173,7 +173,7 @@ Molecule::~Molecule()
compute center = geometric center of molecule compute center = geometric center of molecule
also compute: also compute:
dx = displacement of each atom from center dx = displacement of each atom from center
molradius = radius of molecule from center molradius = radius of molecule from center
including finite-size particles or body particles including finite-size particles or body particles
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
@ -474,7 +474,7 @@ void Molecule::read(int flag)
} else if (strstr(line,"body")) { } else if (strstr(line,"body")) {
bodyflag = 1; bodyflag = 1;
avec_body = (AtomVecBody *) atom->style_match("body"); avec_body = (AtomVecBody *) atom->style_match("body");
if (!avec_body) if (!avec_body)
error->all(FLERR,"Molecule file requires atom style body"); error->all(FLERR,"Molecule file requires atom style body");
nmatch = sscanf(line,"%d %d",&nibody,&ndbody); nmatch = sscanf(line,"%d %d",&nibody,&ndbody);
nwant = 2; nwant = 2;
@ -486,7 +486,7 @@ void Molecule::read(int flag)
// error checks // error checks
if (natoms < 1) if (natoms < 1)
error->all(FLERR,"No count or invalid atom count in molecule file"); error->all(FLERR,"No count or invalid atom count in molecule file");
if (nbonds < 0) error->all(FLERR,"Invalid bond count in molecule file"); if (nbonds < 0) error->all(FLERR,"Invalid bond count in molecule file");
if (nangles < 0) error->all(FLERR,"Invalid angle count in molecule file"); if (nangles < 0) error->all(FLERR,"Invalid angle count in molecule file");
@ -633,7 +633,7 @@ void Molecule::read(int flag)
if (bodyflag) { if (bodyflag) {
radiusflag = 1; radiusflag = 1;
if (natoms != 1) if (natoms != 1)
error->all(FLERR,"Molecule natoms must be 1 for body particle"); error->all(FLERR,"Molecule natoms must be 1 for body particle");
if (sizescale != 1.0) if (sizescale != 1.0)
error->all(FLERR,"Molecule sizescale must be 1.0 for body particle"); error->all(FLERR,"Molecule sizescale must be 1.0 for body particle");
@ -1331,19 +1331,19 @@ void Molecule::body(int flag, int pflag, char *line)
ncount = atom->count_words(line); ncount = atom->count_words(line);
if (ncount == 0) if (ncount == 0)
error->one(FLERR,"Too few values in body section of molecule file"); error->one(FLERR,"Too few values in body section of molecule file");
if (nword+ncount > nparam) if (nword+ncount > nparam)
error->all(FLERR,"Too many values in body section of molecule file"); error->all(FLERR,"Too many values in body section of molecule file");
if (flag) { if (flag) {
if (pflag == 0) { if (pflag == 0) {
ibodyparams[nword++] = force->inumeric(FLERR,strtok(line," \t\n\r\f")); ibodyparams[nword++] = force->inumeric(FLERR,strtok(line," \t\n\r\f"));
for (i = 1; i < ncount; i++) for (i = 1; i < ncount; i++)
ibodyparams[nword++] = ibodyparams[nword++] =
force->inumeric(FLERR,strtok(NULL," \t\n\r\f")); force->inumeric(FLERR,strtok(NULL," \t\n\r\f"));
} else { } else {
dbodyparams[nword++] = force->numeric(FLERR,strtok(line," \t\n\r\f")); dbodyparams[nword++] = force->numeric(FLERR,strtok(line," \t\n\r\f"));
for (i = 1; i < ncount; i++) for (i = 1; i < ncount; i++)
dbodyparams[nword++] = dbodyparams[nword++] =
force->numeric(FLERR,strtok(NULL," \t\n\r\f")); force->numeric(FLERR,strtok(NULL," \t\n\r\f"));
} }
} else nword += ncount; } else nword += ncount;
@ -1503,8 +1503,8 @@ void Molecule::allocate()
memory->create(nspecial,natoms,3,"molecule:nspecial"); memory->create(nspecial,natoms,3,"molecule:nspecial");
for (int i = 0; i < natoms; i++) for (int i = 0; i < natoms; i++)
nspecial[i][0] = nspecial[i][1] = nspecial[i][2] = 0; nspecial[i][0] = nspecial[i][1] = nspecial[i][2] = 0;
if (specialflag) if (specialflag)
memory->create(special,natoms,maxspecial,"molecule:special"); memory->create(special,natoms,maxspecial,"molecule:special");
if (bondflag) { if (bondflag) {