E: Divide by 0 in variable formula Self-explanatory. E: Modulo 0 in variable formula Self-explanatory. E: Power by 0 in variable formula Self-explanatory. E: Sqrt of negative value in variable formula Self-explanatory. E: Log of zero/negative value in variable formula Self-explanatory. E:...
read_data in.lmp #结构文件可以利用ASE从POSCAR/xyz等格式转换 mass 1 95.94 mass 2 32.065 力场 pair_style deepmd test.pb pair_coeff * * 变量定义 variable t equal 300 region定义 region hot block 0 1 INF INF INF INF # hot为名 compute Thot all temp/region hot ...
The resulting temperature in the fluid can be assessed via the array variable f_ID[1] where ID is the fix id (set by the user in the input script) for the lb/fluid fix. There are also a variety of options for system boundaries. One could, in principle, use atoms in fixed positions...
E: Divide by 0 in variable formula Self-explanatory. E: Modulo 0 in variable formula Self-explanatory. E: Power by 0 in variable formula Self-explanatory. E: Sqrt of negative value in variable formula Self-explanatory. E: Log of zero/negative value in variable formula Self-explanatory. E:...
// check for lost atoms // turn off normflag if natoms = 0 to avoid divide by 0 natoms = atom->natoms = lost_check(); if (natoms == 0) normflag = 0; else normflag = normvalue; // invoke Compute methods needed for thermo keywords for (i = 0; i < ncompute; i++) if...
// check for lost atoms // turn off normflag if natoms = 0 to avoid divide by 0 natoms = atom->natoms = lost_check(); if (natoms == 0) normflag = 0; else normflag = normvalue; // invoke Compute methods needed for thermo keywords for (i = 0; i < ncompute; i++) if...
// check for lost atoms // turn off normflag if natoms = 0 to avoid divide by 0 natoms = atom->natoms = lost_check(); if (natoms == 0) normflag = 0; else normflag = normvalue; // invoke Compute methods needed for thermo keywords for (i = 0; i < ncompute; i++) if...
(FLERR,"Divide by 0 in variable formula",ivar); argstack[nargstack++] = value1 / value2; } else if (opprevious == MODULO) { if (value2 == 0.0) print_var_error(FLERR,"Modulo 0 in variable formula",ivar); argstack[nargstack++] = fmod(value1,value2); } else if (opprevious...
// check for lost atoms // turn off normflag if natoms = 0 to avoid divide by 0 natoms = lost_check(); if (natoms == 0) normflag = 0; else normflag = normvalue; // invoke Compute methods needed for thermo keywords for (i = 0; i < ncompute; i++) if (compute_which[...
// check for lost atoms // turn off normflag if natoms = 0 to avoid divide by 0 natoms = atom->natoms = lost_check(); if (natoms == 0) normflag = 0; else normflag = normvalue; // invoke Compute methods needed for thermo keywords for (i = 0; i < ncompute; i++) if...