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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6056 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-05-02 15:05:13 +00:00
parent 96fb599b2d
commit 5f4a69b0b0
2 changed files with 1 additions and 5 deletions
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4
src/pair_hybrid.cpp
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@ -199,7 +199,6 @@ void PairHybrid::settings(int narg, char **arg)
// exception is 1st arg of style "table", which is non-numeric word // exception is 1st arg of style "table", which is non-numeric word
// exception is 1st two args of style "lj/coul", which are non-numeric // exception is 1st two args of style "lj/coul", which are non-numeric
// exception is 1st two args of style "buck/coul", which are non-numeric // exception is 1st two args of style "buck/coul", which are non-numeric
// exception is 1st arg of any "gpu" style, which is non-numeric
// exception is 1st arg of reax/c style, which is non-numeric // exception is 1st arg of reax/c style, which is non-numeric
// need a better way to skip these exceptions // need a better way to skip these exceptions
@ -209,7 +208,6 @@ void PairHybrid::settings(int narg, char **arg)
if (strcmp(arg[i],"table") == 0) i++; if (strcmp(arg[i],"table") == 0) i++;
if (strcmp(arg[i],"lj/coul") == 0) i += 2; if (strcmp(arg[i],"lj/coul") == 0) i += 2;
if (strcmp(arg[i],"buck/coul") == 0) i += 2; if (strcmp(arg[i],"buck/coul") == 0) i += 2;
if (strstr(arg[i],"gpu")) i++;
if (strcmp(arg[i],"reax/c") == 0) i++; if (strcmp(arg[i],"reax/c") == 0) i++;
i++; i++;
while (i < narg && !isalpha(arg[i][0])) i++; while (i < narg && !isalpha(arg[i][0])) i++;
@ -226,7 +224,6 @@ void PairHybrid::settings(int narg, char **arg)
// exception is 1st arg of style "table", which is non-numeric // exception is 1st arg of style "table", which is non-numeric
// exception is 1st two args of style "lj/coul", which are non-numeric // exception is 1st two args of style "lj/coul", which are non-numeric
// exception is 1st two args of style "buck/coul", which are non-numeric // exception is 1st two args of style "buck/coul", which are non-numeric
// exception is 1st arg of any "gpu" style, which is non-numeric
// exception is 1st arg of reax/c style, which is non-numeric // exception is 1st arg of reax/c style, which is non-numeric
// need a better way to skip these exceptions // need a better way to skip these exceptions
@ -247,7 +244,6 @@ void PairHybrid::settings(int narg, char **arg)
if (strcmp(arg[i],"table") == 0) i++; if (strcmp(arg[i],"table") == 0) i++;
if (strcmp(arg[i],"lj/coul") == 0) i += 2; if (strcmp(arg[i],"lj/coul") == 0) i += 2;
if (strcmp(arg[i],"buck/coul") == 0) i += 2; if (strcmp(arg[i],"buck/coul") == 0) i += 2;
if (strstr(arg[i],"gpu")) i++;
if (strcmp(arg[i],"reax/c") == 0) i++; if (strcmp(arg[i],"reax/c") == 0) i++;
i++; i++;
while (i < narg && !isalpha(arg[i][0])) i++; while (i < narg && !isalpha(arg[i][0])) i++;

2
src/pair_lj_expand.h
View File

@ -38,7 +38,7 @@ class PairLJExpand : public Pair {
void read_restart_settings(FILE *); void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &); double single(int, int, int, int, double, double, double, double &);
private: protected:
double cut_global; double cut_global;
double **cut; double **cut;
double **epsilon,**sigma,**shift; double **epsilon,**sigma,**shift;