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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5336 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-11-29 17:57:09 +00:00
parent 3524795784
commit 03869e4781
3 changed files with 7 additions and 8 deletions
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7
src/MANYBODY/pair_tersoff.cpp
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@ -47,8 +47,7 @@ PairTersoff::PairTersoff(LAMMPS *lmp) : Pair(lmp)
nelements = 0; nelements = 0;
elements = NULL; elements = NULL;
nparams = 0; nparams = maxparam = 0;
maxparam = 0;
params = NULL; params = NULL;
elem2param = NULL; elem2param = NULL;
} }
@ -364,9 +363,9 @@ void PairTersoff::read_file(char *file)
int params_per_line = 17; int params_per_line = 17;
char **words = new char*[params_per_line+1]; char **words = new char*[params_per_line+1];
if (params) delete [] params; if (params) memory->sfree(params);
params = NULL; params = NULL;
nparams = 0; nparams = maxparam = 0;
// open file on proc 0 // open file on proc 0

2
src/input.cpp
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@ -524,7 +524,7 @@ void Input::echo()
void Input::ifthenelse() void Input::ifthenelse()
{ {
if (narg < 4) error->all("Illegal if command"); if (narg < 3) error->all("Illegal if command");
// substitute for variables in Boolean expression for "if" // substitute for variables in Boolean expression for "if"
// in case expression was enclosed in quotes // in case expression was enclosed in quotes

4
src/variable.cpp
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@ -3163,13 +3163,13 @@ double Variable::evaluate_boolean(char *str)
// number: push value onto stack // number: push value onto stack
// ---------------- // ----------------
} else if (isdigit(onechar) || onechar == '.') { } else if (isdigit(onechar) || onechar == '.' || onechar == '-') {
if (expect == OP) error->all("Invalid Boolean syntax in if command"); if (expect == OP) error->all("Invalid Boolean syntax in if command");
expect = OP; expect = OP;
// istop = end of number, including scientific notation // istop = end of number, including scientific notation
int istart = i; int istart = i++;
while (isdigit(str[i]) || str[i] == '.') i++; while (isdigit(str[i]) || str[i] == '.') i++;
if (str[i] == 'e' || str[i] == 'E') { if (str[i] == 'e' || str[i] == 'E') {
i++; i++;