diff --git a/src/MISC/fix_ipi.cpp b/src/MISC/fix_ipi.cpp index b56c5eebcb..b82339713e 100644 --- a/src/MISC/fix_ipi.cpp +++ b/src/MISC/fix_ipi.cpp @@ -200,22 +200,10 @@ FixIPI::FixIPI(LAMMPS *lmp, int narg, char **arg) : hasdata = bsize = 0; // creates a temperature compute for all atoms - char** newarg = new char*[3]; - newarg[0] = (char *) "IPI_TEMP"; - newarg[1] = (char *) "all"; - newarg[2] = (char *) "temp"; - modify->add_compute(3,newarg); - delete [] newarg; + modify->add_compute("IPI_TEMP all temp"); // creates a pressure compute to extract the virial - newarg = new char*[5]; - newarg[0] = (char *) "IPI_PRESS"; - newarg[1] = (char *) "all"; - newarg[2] = (char *) "pressure"; - newarg[3] = (char *) "IPI_TEMP"; - newarg[4] = (char *) "virial"; - modify->add_compute(5,newarg); - delete [] newarg; + modify->add_compute("IPI_PRESS all pressure IPI_TEMP virial"); // create instance of Irregular class irregular = new Irregular(lmp); diff --git a/src/PLUMED/fix_plumed.cpp b/src/PLUMED/fix_plumed.cpp index b38e745b7a..7a142b57f8 100644 --- a/src/PLUMED/fix_plumed.cpp +++ b/src/PLUMED/fix_plumed.cpp @@ -215,31 +215,13 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) : // Define compute to calculate potential energy - id_pe = new char[8]; - strcpy(id_pe,"plmd_pe"); - char **newarg = new char*[3]; - newarg[0] = id_pe; - newarg[1] = (char *) "all"; - newarg[2] = (char *) "pe"; - modify->add_compute(3,newarg); - delete [] newarg; - int ipe = modify->find_compute(id_pe); - c_pe = modify->compute[ipe]; + id_pe = utils::strdup("plmd_pe"); + c_pe = modify->add_compute(std::string(id_pe) + " all pe"); // Define compute to calculate pressure tensor - id_press = new char[11]; - strcpy(id_press,"plmd_press"); - newarg = new char*[5]; - newarg[0] = id_press; - newarg[1] = (char *) "all"; - newarg[2] = (char *) "pressure"; - newarg[3] = (char *) "NULL"; - newarg[4] = (char *) "virial"; - modify->add_compute(5,newarg); - delete [] newarg; - int ipress = modify->find_compute(id_press); - c_press = modify->compute[ipress]; + id_press = utils::strdup("plmd_press"); + c_press = modify->add_compute(std::string(id_press) + " all pressure NULL virial"); for (int i = 0; i < modify->nfix; i++) { const char * const check_style = modify->fix[i]->style;