diff --git a/doc/src/pair_dpd_coul_slater_long.rst b/doc/src/pair_dpd_coul_slater_long.rst index 286fbe3338..82e415b096 100644 --- a/doc/src/pair_dpd_coul_slater_long.rst +++ b/doc/src/pair_dpd_coul_slater_long.rst @@ -25,7 +25,7 @@ Examples .. code-block:: LAMMPS pair_style dpd/coul/slater/long 1.0 2.5 34387 0.25 3.0 - + pair_coeff 1 1 78.0 4.5 # not charged by default pair_coeff 2 2 78.0 4.5 yes diff --git a/src/ML-POD/eapod.cpp b/src/ML-POD/eapod.cpp index a1171bbb5a..7af45c3866 100644 --- a/src/ML-POD/eapod.cpp +++ b/src/ML-POD/eapod.cpp @@ -1447,7 +1447,7 @@ void EAPOD::base_descriptors(double *basedesc, double *x, Njmax = Nj; free_temp_memory(); allocate_temp_memory(Njmax); - if (comm->me == 0) utils::logmesg(lmp, "reallocate temporary memory with Njmax = %d ...\n", Njmax); + if (comm->me == 0) utils::logmesg(lmp, "reallocate temporary memory with Njmax = %d ...\n", Njmax); } double *rij = &tmpmem[0]; // 3*Nj @@ -1490,7 +1490,7 @@ void EAPOD::descriptors(double *gd, double *gdd, double *basedesc, double *x, Njmax = Nj; free_temp_memory(); allocate_temp_memory(Njmax); - if (comm->me == 0) utils::logmesg(lmp, "reallocate temporary memory with Njmax = %d ...\n", Njmax); + if (comm->me == 0) utils::logmesg(lmp, "reallocate temporary memory with Njmax = %d ...\n", Njmax); } double *rij = &tmpmem[0]; // 3*Nj @@ -1547,7 +1547,7 @@ void EAPOD::descriptors(double *gd, double *gdd, double *basedesc, double *probd Njmax = Nj; free_temp_memory(); allocate_temp_memory(Njmax); - if (comm->me == 0) utils::logmesg(lmp, "reallocate temporary memory with Njmax = %d ...\n", Njmax); + if (comm->me == 0) utils::logmesg(lmp, "reallocate temporary memory with Njmax = %d ...\n", Njmax); } double *rij = &tmpmem[0]; // 3*Nj diff --git a/src/ML-POD/fitpod_command.cpp b/src/ML-POD/fitpod_command.cpp index e70c5b2cbe..ee9d64bab5 100644 --- a/src/ML-POD/fitpod_command.cpp +++ b/src/ML-POD/fitpod_command.cpp @@ -1291,7 +1291,7 @@ void FitPOD::environment_cluster_calculation(const datastruct &data) { if (comm->me == 0) utils::logmesg(lmp, "**************** Begin Calculating Environment Descriptor Matrix ****************\n"); - + int nComponents = fastpodptr->nComponents; int Mdesc = fastpodptr->Mdesc; int nClusters = fastpodptr->nClusters; diff --git a/src/ML-POD/fitpod_command.h b/src/ML-POD/fitpod_command.h index af041791ef..96e726e0af 100644 --- a/src/ML-POD/fitpod_command.h +++ b/src/ML-POD/fitpod_command.h @@ -139,7 +139,7 @@ private: neighborstruct nb; class EAPOD *fastpodptr; - // functions for collecting/collating arrays + // functions for collecting/collating arrays void podCumsum(int *output, int *input, int length); double podArrayNorm(double *a, int n); double podArrayErrorNorm(double *a, double *b, int n);