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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-27 20:02:55 +00:00
parent 0d6f0c69fd
commit 2dbe3f80a2
121 changed files with 588 additions and 585 deletions
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22
src/CLASS2/angle_class2.cpp
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@ -278,9 +278,9 @@ void AngleClass2::coeff(int narg, char **arg)
if (strcmp(arg[1],"bb") == 0) {
if (narg != 5) error->all(FLERR,"Incorrect args for angle coefficients");
double bb_k_one = force->numeric(arg[2]);
double bb_r1_one = force->numeric(arg[3]);
double bb_r2_one = force->numeric(arg[4]);
double bb_k_one = force->numeric(FLERR,arg[2]);
double bb_r1_one = force->numeric(FLERR,arg[3]);
double bb_r2_one = force->numeric(FLERR,arg[4]);
for (int i = ilo; i <= ihi; i++) {
bb_k[i] = bb_k_one;
@ -293,10 +293,10 @@ void AngleClass2::coeff(int narg, char **arg)
} else if (strcmp(arg[1],"ba") == 0) {
if (narg != 6) error->all(FLERR,"Incorrect args for angle coefficients");
double ba_k1_one = force->numeric(arg[2]);
double ba_k2_one = force->numeric(arg[3]);
double ba_r1_one = force->numeric(arg[4]);
double ba_r2_one = force->numeric(arg[5]);
double ba_k1_one = force->numeric(FLERR,arg[2]);
double ba_k2_one = force->numeric(FLERR,arg[3]);
double ba_r1_one = force->numeric(FLERR,arg[4]);
double ba_r2_one = force->numeric(FLERR,arg[5]);
for (int i = ilo; i <= ihi; i++) {
ba_k1[i] = ba_k1_one;
@ -310,10 +310,10 @@ void AngleClass2::coeff(int narg, char **arg)
} else {
if (narg != 5) error->all(FLERR,"Incorrect args for angle coefficients");
double theta0_one = force->numeric(arg[1]);
double k2_one = force->numeric(arg[2]);
double k3_one = force->numeric(arg[3]);
double k4_one = force->numeric(arg[4]);
double theta0_one = force->numeric(FLERR,arg[1]);
double k2_one = force->numeric(FLERR,arg[2]);
double k3_one = force->numeric(FLERR,arg[3]);
double k4_one = force->numeric(FLERR,arg[4]);
// convert theta0 from degrees to radians