diff --git a/src/USER-BOCS/fix_bocs.cpp b/src/USER-BOCS/fix_bocs.cpp index 87d4653da5..60fb03cdf8 100644 --- a/src/USER-BOCS/fix_bocs.cpp +++ b/src/USER-BOCS/fix_bocs.cpp @@ -1525,9 +1525,7 @@ int FixBocs::modify_param(int narg, char **arg) tcomputeflag = 0; } delete [] id_temp; - int n = strlen(arg[1]) + 1; - id_temp = new char[n]; - strcpy(id_temp,arg[1]); + id_temp = utils::strdup(arg[1]); int icompute = modify->find_compute(arg[1]); if (icompute < 0) @@ -1559,9 +1557,7 @@ int FixBocs::modify_param(int narg, char **arg) pcomputeflag = 0; } delete [] id_press; - int n = strlen(arg[1]) + 1; - id_press = new char[n]; - strcpy(id_press,arg[1]); + id_press = utils::strdup(arg[1]); int icompute = modify->find_compute(arg[1]); if (icompute < 0) error->all(FLERR,"Could not find fix_modify pressure ID"); diff --git a/src/USER-DPD/fix_eos_table_rx.cpp b/src/USER-DPD/fix_eos_table_rx.cpp index 28cd4eb4c3..7b0bec93f2 100644 --- a/src/USER-DPD/fix_eos_table_rx.cpp +++ b/src/USER-DPD/fix_eos_table_rx.cpp @@ -17,16 +17,15 @@ #include "fix_eos_table_rx.h" - -#include -#include #include "atom.h" +#include "comm.h" #include "error.h" #include "force.h" #include "memory.h" -#include "comm.h" #include "modify.h" +#include +#include #define MAXLINE 1024 diff --git a/src/USER-DPD/fix_rx.cpp b/src/USER-DPD/fix_rx.cpp index 675c3d6dea..4f0f381e6d 100644 --- a/src/USER-DPD/fix_rx.cpp +++ b/src/USER-DPD/fix_rx.cpp @@ -13,28 +13,26 @@ #include "fix_rx.h" - -#include -#include -#include // DBL_EPSILON #include "atom.h" -#include "error.h" -#include "group.h" -#include "modify.h" -#include "force.h" -#include "memory.h" #include "comm.h" -#include "update.h" #include "domain.h" -#include "neighbor.h" +#include "error.h" +#include "force.h" +#include "group.h" +#include "math_special.h" +#include "memory.h" +#include "modify.h" #include "neigh_list.h" #include "neigh_request.h" -#include "math_special.h" +#include "neighbor.h" #include "pair_dpd_fdt_energy.h" +#include "update.h" - -#include // std::vector<> #include // std::max +#include // DBL_EPSILON +#include +#include +#include // std::vector<> using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-DPD/pair_exp6_rx.cpp b/src/USER-DPD/pair_exp6_rx.cpp index 036d31060b..ba8d52776f 100644 --- a/src/USER-DPD/pair_exp6_rx.cpp +++ b/src/USER-DPD/pair_exp6_rx.cpp @@ -13,20 +13,19 @@ #include "pair_exp6_rx.h" -#include - -#include -#include #include "atom.h" #include "comm.h" +#include "error.h" +#include "fix.h" #include "force.h" -#include "neigh_list.h" #include "math_special.h" #include "memory.h" -#include "error.h" - #include "modify.h" -#include "fix.h" +#include "neigh_list.h" + +#include +#include +#include using namespace LAMMPS_NS; using namespace MathSpecial; diff --git a/src/USER-DPD/pair_multi_lucy.cpp b/src/USER-DPD/pair_multi_lucy.cpp index 70ea8b40ad..85cab8a37f 100644 --- a/src/USER-DPD/pair_multi_lucy.cpp +++ b/src/USER-DPD/pair_multi_lucy.cpp @@ -21,21 +21,19 @@ The Journal of Chemical Physics, 2016, 144, 104501. ------------------------------------------------------------------------------------------- */ +#include "pair_multi_lucy.h" + +#include "atom.h" +#include "citeme.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "math_const.h" +#include "memory.h" +#include "neigh_list.h" #include -#include "math_const.h" - #include -#include "pair_multi_lucy.h" -#include "atom.h" -#include "force.h" -#include "comm.h" -#include "neigh_list.h" -#include "memory.h" -#include "error.h" - -#include "citeme.h" - using namespace LAMMPS_NS; diff --git a/src/USER-DPD/pair_multi_lucy_rx.cpp b/src/USER-DPD/pair_multi_lucy_rx.cpp index c0f6af8a7e..5bea395725 100644 --- a/src/USER-DPD/pair_multi_lucy_rx.cpp +++ b/src/USER-DPD/pair_multi_lucy_rx.cpp @@ -21,23 +21,21 @@ The Journal of Chemical Physics, 2016, 144, 104501. ------------------------------------------------------------------------------------------- */ +#include "pair_multi_lucy_rx.h" + +#include "atom.h" +#include "citeme.h" +#include "comm.h" +#include "error.h" +#include "fix.h" +#include "force.h" +#include "math_const.h" +#include "memory.h" +#include "modify.h" +#include "neigh_list.h" #include -#include "math_const.h" - #include -#include "pair_multi_lucy_rx.h" -#include "atom.h" -#include "force.h" -#include "comm.h" -#include "neigh_list.h" -#include "memory.h" -#include "error.h" - -#include "citeme.h" -#include "modify.h" -#include "fix.h" - using namespace LAMMPS_NS; diff --git a/src/USER-EFF/fix_temp_rescale_eff.cpp b/src/USER-EFF/fix_temp_rescale_eff.cpp index 1ebed8b9ff..0d3bf6ed43 100644 --- a/src/USER-EFF/fix_temp_rescale_eff.cpp +++ b/src/USER-EFF/fix_temp_rescale_eff.cpp @@ -165,9 +165,7 @@ int FixTempRescaleEff::modify_param(int narg, char **arg) tflag = 0; } delete [] id_temp; - int n = strlen(arg[1]) + 1; - id_temp = new char[n]; - strcpy(id_temp,arg[1]); + id_temp = utils::strdup(arg[1]); int icompute = modify->find_compute(id_temp); if (icompute < 0) error->all(FLERR,"Could not find fix_modify temperature ID"); diff --git a/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp b/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp index a45d62a588..4b141a3bd1 100644 --- a/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp +++ b/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp @@ -31,10 +31,8 @@ ------------------------------------------------------------------------- */ - #include "fix_nve_manifold_rattle.h" -#include #include "atom.h" #include "force.h" #include "update.h" @@ -44,18 +42,17 @@ #include "citeme.h" #include "comm.h" +#include + #include "manifold_factory.h" #include "manifold.h" - using namespace LAMMPS_NS; using namespace FixConst; using namespace user_manifold; - enum { CONST, EQUAL }; // For treating the variables. - static const char* cite_fix_nve_manifold_rattle = "fix nve/manifold/rattle command:\n\n" "@article{paquay-2016,\n" diff --git a/src/USER-MGPT/pair_mgpt.cpp b/src/USER-MGPT/pair_mgpt.cpp index 75f870e1b2..7061d1f86b 100644 --- a/src/USER-MGPT/pair_mgpt.cpp +++ b/src/USER-MGPT/pair_mgpt.cpp @@ -23,20 +23,18 @@ #include "pair_mgpt.h" -#include - -#include -#include - #include "atom.h" -#include "force.h" #include "comm.h" -#include "neighbor.h" +#include "error.h" +#include "force.h" +#include "memory.h" #include "neigh_list.h" #include "neigh_request.h" -#include "memory.h" -#include "error.h" +#include "neighbor.h" +#include +#include +#include using namespace LAMMPS_NS; diff --git a/src/USER-MISC/compute_gyration_shape.cpp b/src/USER-MISC/compute_gyration_shape.cpp index daec7a6b4b..ac073d4cbc 100644 --- a/src/USER-MISC/compute_gyration_shape.cpp +++ b/src/USER-MISC/compute_gyration_shape.cpp @@ -15,17 +15,18 @@ * Contributing author: Evangelos Voyiatzis (Royal DSM) * ------------------------------------------------------------------------- */ - #include "compute_gyration_shape.h" -#include -#include + #include "error.h" -#include "math_extra.h" #include "math_eigen.h" +#include "math_extra.h" #include "math_special.h" #include "modify.h" #include "update.h" +#include +#include + using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ @@ -41,9 +42,7 @@ ComputeGyrationShape::ComputeGyrationShape(LAMMPS *lmp, int narg, char **arg) : extvector = 0; // ID of compute gyration - int n = strlen(arg[3]) + 1; - id_gyration = new char[n]; - strcpy(id_gyration,arg[3]); + id_gyration = utils::strdup(arg[3]); init(); diff --git a/src/USER-MISC/compute_gyration_shape_chunk.cpp b/src/USER-MISC/compute_gyration_shape_chunk.cpp index e0ab646ce2..e66173d704 100644 --- a/src/USER-MISC/compute_gyration_shape_chunk.cpp +++ b/src/USER-MISC/compute_gyration_shape_chunk.cpp @@ -15,17 +15,18 @@ * Contributing author: Evangelos Voyiatzis (Royal DSM) * ------------------------------------------------------------------------- */ - #include "compute_gyration_shape_chunk.h" + +#include "error.h" +#include "math_eigen.h" +#include "math_extra.h" +#include "math_special.h" +#include "memory.h" +#include "modify.h" +#include "update.h" + #include #include -#include "error.h" -#include "math_extra.h" -#include "math_eigen.h" -#include "math_special.h" -#include "modify.h" -#include "memory.h" -#include "update.h" using namespace LAMMPS_NS; @@ -37,9 +38,7 @@ ComputeGyrationShapeChunk::ComputeGyrationShapeChunk(LAMMPS *lmp, int narg, char if (narg != 4) error->all(FLERR,"Illegal compute gyration/shape/chunk command"); // ID of compute gyration - int n = strlen(arg[3]) + 1; - id_gyration_chunk = new char[n]; - strcpy(id_gyration_chunk,arg[3]); + id_gyration_chunk = utils::strdup(arg[3]); init(); diff --git a/src/USER-MISC/compute_hma.cpp b/src/USER-MISC/compute_hma.cpp index 8220abebc4..fbe8c67d39 100644 --- a/src/USER-MISC/compute_hma.cpp +++ b/src/USER-MISC/compute_hma.cpp @@ -78,11 +78,7 @@ ComputeHMA::ComputeHMA(LAMMPS *lmp, int narg, char **arg) : if (narg < 4) error->all(FLERR,"Illegal compute hma command"); if (igroup) error->all(FLERR,"Compute hma must use group all"); if (strcmp(arg[3],"NULL") == 0) {error->all(FLERR,"fix ID specifying the set temperature of canonical simulation is required");} - else { - int n = strlen(arg[3]) + 1; - id_temp = new char[n]; - strcpy(id_temp,arg[3]); - } + else id_temp = utils::strdup(arg[3]); create_attribute = 1; extscalar = 1; @@ -92,23 +88,11 @@ ComputeHMA::ComputeHMA(LAMMPS *lmp, int narg, char **arg) : // our new fix's id (id_fix)= compute-ID + COMPUTE_STORE // our new fix's group = same as compute group - int n = strlen(id) + strlen("_COMPUTE_STORE") + 1; - id_fix = new char[n]; - strcpy(id_fix,id); - strcat(id_fix,"_COMPUTE_STORE"); - - char **newarg = new char*[6]; - newarg[0] = id_fix; - newarg[1] = group->names[igroup]; - newarg[2] = (char *) "STORE"; - newarg[3] = (char *) "peratom"; - newarg[4] = (char *) "1"; - newarg[5] = (char *) "3"; - modify->add_fix(6,newarg); + id_fix = utils::strdup(std::string(id)+"_COMPUTE_STORE"); + modify->add_fix(fmt::format("{} {} STORE peratom 1 3", + id_fix, group->names[igroup])); fix = (FixStore *) modify->fix[modify->nfix-1]; - delete [] newarg; - // calculate xu,yu,zu for fix store array // skip if reset from restart file diff --git a/src/USER-MISC/compute_pressure_grem.cpp b/src/USER-MISC/compute_pressure_grem.cpp index 6ba4462c29..98f699491f 100644 --- a/src/USER-MISC/compute_pressure_grem.cpp +++ b/src/USER-MISC/compute_pressure_grem.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_pressure_grem.h" -#include + #include "update.h" #include "domain.h" #include "modify.h" @@ -21,6 +21,8 @@ #include "kspace.h" #include "error.h" +#include + using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- @@ -30,9 +32,7 @@ using namespace LAMMPS_NS; ComputePressureGrem::ComputePressureGrem(LAMMPS *lmp, int narg, char **arg) : ComputePressure(lmp, narg-1, arg) { - int len = strlen(arg[narg-1])+1; - fix_grem = new char[len]; - strcpy(fix_grem,arg[narg-1]); + fix_grem = utils::strdup(arg[narg-1]); } /* ---------------------------------------------------------------------- */