diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp index f13583506b..434667a302 100644 --- a/src/KSPACE/pppm.cpp +++ b/src/KSPACE/pppm.cpp @@ -712,7 +712,7 @@ void PPPM::compute(int eflag, int vflag) // per-atom energy/virial // energy includes self-energy correction - // notal accounts for TIP4P tallying eatom/vatom for ghost atoms + // ntotal accounts for TIP4P tallying eatom/vatom for ghost atoms if (evflag_atom) { double *q = atom->q; diff --git a/src/KSPACE/pppm_stagger.cpp b/src/KSPACE/pppm_stagger.cpp index 0e317fd64f..1a117c3bca 100755 --- a/src/KSPACE/pppm_stagger.cpp +++ b/src/KSPACE/pppm_stagger.cpp @@ -234,7 +234,7 @@ void PPPMStagger::compute(int eflag, int vflag) // per-atom energy/virial // energy includes self-energy correction - // notal accounts for TIP4P tallying eatom/vatom for ghost atoms + // ntotal accounts for TIP4P tallying eatom/vatom for ghost atoms if (evflag_atom) { double *q = atom->q; diff --git a/src/MPIIO/dump_atom_mpiio.h b/src/MPIIO/dump_atom_mpiio.h index 0456d40e31..265f9a3b02 100644 --- a/src/MPIIO/dump_atom_mpiio.h +++ b/src/MPIIO/dump_atom_mpiio.h @@ -18,7 +18,7 @@ DumpStyle(atom/mpiio,DumpAtomMPIIO) #else #ifndef LMP_DUMP_ATOM_MPIIO_H -#define LMP_DUMP_ATOM_MPII0_H +#define LMP_DUMP_ATOM_MPIIO_H #include "dump_atom.h" #include diff --git a/src/MPIIO/dump_custom_mpiio.h b/src/MPIIO/dump_custom_mpiio.h index f2d64bd2dd..8194b5f94d 100644 --- a/src/MPIIO/dump_custom_mpiio.h +++ b/src/MPIIO/dump_custom_mpiio.h @@ -18,7 +18,7 @@ DumpStyle(custom/mpiio,DumpCustomMPIIO) #else #ifndef LMP_DUMP_CUSTOM_MPIIO_H -#define LMP_DUMP_CUSTOM_MPII0_H +#define LMP_DUMP_CUSTOM_MPIIO_H #include "dump_custom.h" diff --git a/src/MPIIO/dump_xyz_mpiio.h b/src/MPIIO/dump_xyz_mpiio.h index bb1908d625..484d2a53db 100644 --- a/src/MPIIO/dump_xyz_mpiio.h +++ b/src/MPIIO/dump_xyz_mpiio.h @@ -18,7 +18,7 @@ DumpStyle(xyz/mpiio,DumpXYZMPIIO) #else #ifndef LMP_DUMP_XYZ_MPIIO_H -#define LMP_DUMP_XYZ_MPII0_H +#define LMP_DUMP_XYZ_MPIIO_H #include "dump_xyz.h" diff --git a/src/Make.py b/src/Make.py index 82c2ba9199..774afe2a82 100755 --- a/src/Make.py +++ b/src/Make.py @@ -79,7 +79,7 @@ def switch2str(switches,switch_order): # NOTE: unrecognized -override-limits can leave verride-limits file def compile_check(compiler,ccflags,warn): - open("tmpauto.cpp",'w').write("int main(int, char **) {}") + open("tmpauto.cpp",'w').write("int main(int, char **) {}\n") str = "%s %s -c tmpauto.cpp" % (compiler,ccflags) txt = commands.getoutput(str) flag = 1 @@ -98,7 +98,7 @@ def compile_check(compiler,ccflags,warn): # warn = 1 = print warning if not successful, warn = 0 = no warning def link_check(linker,linkflags,warn): - open("tmpauto.cpp",'w').write("int main(int, char **) {}") + open("tmpauto.cpp",'w').write("int main(int, char **) {}\n") str = "%s %s -o tmpauto tmpauto.cpp" % (linker,linkflags) txt = commands.getoutput(str) flag = 1 diff --git a/src/USER-SMD/pair_smd_tlsph.cpp b/src/USER-SMD/pair_smd_tlsph.cpp index 9b293d77d8..e31d5125c9 100644 --- a/src/USER-SMD/pair_smd_tlsph.cpp +++ b/src/USER-SMD/pair_smd_tlsph.cpp @@ -46,7 +46,6 @@ #include "math_special.h" #include #include "update.h" -#include #include #include "smd_material_models.h" #include "smd_kernels.h" diff --git a/src/USER-SMD/pair_smd_ulsph.cpp b/src/USER-SMD/pair_smd_ulsph.cpp index 9cb3bd2788..37fb48b18c 100644 --- a/src/USER-SMD/pair_smd_ulsph.cpp +++ b/src/USER-SMD/pair_smd_ulsph.cpp @@ -50,7 +50,6 @@ using namespace std; using namespace LAMMPS_NS; using namespace SMD_Math; -#include #include using namespace Eigen; diff --git a/src/USER-SMD/smd_material_models.cpp b/src/USER-SMD/smd_material_models.cpp index fd06d4c3bb..8660297170 100644 --- a/src/USER-SMD/smd_material_models.cpp +++ b/src/USER-SMD/smd_material_models.cpp @@ -26,8 +26,6 @@ #include "stdio.h" #include -#include -#include using namespace LAMMPS_NS::MathSpecial; using namespace std; diff --git a/src/pair_zbl.cpp b/src/pair_zbl.cpp index 5c2f7c4fc2..ba9208ddf2 100644 --- a/src/pair_zbl.cpp +++ b/src/pair_zbl.cpp @@ -359,7 +359,7 @@ double PairZBL::e_zbl(double r, int i, int j) { double result = zzeij*sum*rinv; return result; -}; +} /* ---------------------------------------------------------------------- @@ -393,7 +393,7 @@ double PairZBL::dzbldr(double r, int i, int j) { double result = zzeij*(sum_p - sum*rinv)*rinv; return result; -}; +} /* ---------------------------------------------------------------------- compute ZBL second derivative @@ -432,5 +432,5 @@ double PairZBL::d2zbldr2(double r, int i, int j) { 2.0*sum*rinv*rinv)*rinv; return result; -}; +}