本文整理汇总了C++中Fix::modify_param方法的典型用法代码示例。如果您正苦于以下问题：C++ Fix::modify_param方法的具体用法？C++ Fix::modify_param怎么用？C++ Fix::modify_param使用的例子？那么, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类Fix的用法示例。
在下文中一共展示了Fix::modify_param方法的1个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的C++代码示例。
示例1: Fix
//.........这里部分代码省略.........
global_freq = 1;
extscalar = 1;
extvector = 1;
scale_grem = 1.0;
// tbath - temp of bath, the same as defined in thermostat
lambda = force->numeric(FLERR,arg[3]);
eta = force->numeric(FLERR,arg[4]);
h0 = force->numeric(FLERR,arg[5]);
int n = strlen(arg[6])+1;
id_nh = new char[n];
strcpy(id_nh,arg[6]);
// create a new compute temp style
// id = fix-ID + temp
// compute group = all since pressure is always global (group all)
// and thus its KE/temperature contribution should use group all
n = strlen(id) + 6;
id_temp = new char[n];
strcpy(id_temp,id);
strcat(id_temp,"_temp");
char **newarg = new char*[3];
newarg[0] = id_temp;
newarg[1] = (char *) "all";
newarg[2] = (char *) "temp";
modify->add_compute(3,newarg);
delete [] newarg;
// create a new compute pressure style
// id = fix-ID + press, compute group = all
// pass id_temp as 4th arg to pressure constructor
n = strlen(id) + 7;
id_press = new char[n];
strcpy(id_press,id);
strcat(id_press,"_press");
newarg = new char*[5];
newarg[0] = id_press;
newarg[1] = (char *) "all";
newarg[2] = (char *) "PRESSURE/GREM";
newarg[3] = id_temp;
newarg[4] = id;
modify->add_compute(5,newarg);
delete [] newarg;
// create a new compute ke style
// id = fix-ID + ke
n = strlen(id) + 8;
id_ke = new char[n];
strcpy(id_ke,id);
strcat(id_ke,"_ke");
newarg = new char*[3];
newarg[0] = id_ke;
newarg[1] = (char *) "all";
newarg[2] = (char *) "ke";
modify->add_compute(3,newarg);
delete [] newarg;
// create a new compute pe style
// id = fix-ID + pe
n = strlen(id) + 9;
id_pe = new char[n];
strcpy(id_pe,id);
strcat(id_pe,"_pe");
newarg = new char*[3];
newarg[0] = id_pe;
newarg[1] = (char *) "all";
newarg[2] = (char *) "pe";
modify->add_compute(3,newarg);
delete [] newarg;
int ifix = modify->find_fix(id_nh);
if (ifix < 0)
error->all(FLERR,"Fix id for nvt or npt fix does not exist");
Fix *nh = modify->fix[ifix];
pressflag = 0;
int *p_flag = (int *)nh->extract("p_flag",ifix);
if ((p_flag == NULL) || (ifix != 1) || (p_flag[0] == 0)
|| (p_flag[1] == 0) || (p_flag[2] == 0)) {
pressflag = 0;
} else if ((p_flag[0] == 1) && (p_flag[1] == 1)
&& (p_flag[2] == 1) && (ifix == 1)) {
pressflag = 1;
char *modargs[2];
modargs[0] = (char *) "press";
modargs[1] = id_press;
nh->modify_param(2,modargs);
}
}