From cddac395c6d3a5b97567aaff8b464fc49dfde1fc Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 28 Aug 2021 07:52:14 -0400 Subject: [PATCH] some more cleanup --- src/EXTRA-FIX/fix_ttm_mod.cpp | 18 ++++++------------ src/EXTRA-FIX/fix_ttm_mod.h | 1 - 2 files changed, 6 insertions(+), 13 deletions(-) diff --git a/src/EXTRA-FIX/fix_ttm_mod.cpp b/src/EXTRA-FIX/fix_ttm_mod.cpp index 07f3055b37..905232ff08 100644 --- a/src/EXTRA-FIX/fix_ttm_mod.cpp +++ b/src/EXTRA-FIX/fix_ttm_mod.cpp @@ -68,6 +68,7 @@ static const char cite_fix_ttm_mod[] = "pages = {129--139},\n" "year = {2013}\n" "}\n\n"; + static constexpr int OFFSET = 16384; static constexpr double SHIFT = 0.0; @@ -75,7 +76,7 @@ static constexpr double SHIFT = 0.0; FixTTMMod::FixTTMMod(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg), - random(nullptr), fp(nullptr), nsum(nullptr), nsum_all(nullptr), + random(nullptr), nsum(nullptr), nsum_all(nullptr), gfactor1(nullptr), gfactor2(nullptr), ratio(nullptr), flangevin(nullptr), T_electron(nullptr), T_electron_old(nullptr), sum_vsq(nullptr), sum_mass_vsq(nullptr), sum_vsq_all(nullptr), sum_mass_vsq_all(nullptr), net_energy_transfer(nullptr), @@ -217,11 +218,9 @@ FixTTMMod::FixTTMMod(LAMMPS *lmp, int narg, char **arg) : FixTTMMod::~FixTTMMod() { - if (fp) fclose(fp); delete random; - - delete [] gfactor1; - delete [] gfactor2; + delete[] gfactor1; + delete[] gfactor2; memory->destroy(nsum); memory->destroy(nsum_all); @@ -855,13 +854,8 @@ void FixTTMMod::end_of_step() // output of grid electron temperatures to file - if (outfile && (update->ntimestep % outevery == 0)) { - char *newfile = new char[strlen(outfile) + 16]; - strcpy(newfile,outfile); - sprintf(newfile,"%s.%ld",outfile,update->ntimestep); - - write_electron_temperatures((const char *) newfile); - } + if (outfile && (update->ntimestep % outevery == 0)) + write_electron_temperatures(fmt::format("{}.{}", outfile, update->ntimestep)); } /* ---------------------------------------------------------------------- diff --git a/src/EXTRA-FIX/fix_ttm_mod.h b/src/EXTRA-FIX/fix_ttm_mod.h index 2b0287380f..f26f270e7a 100644 --- a/src/EXTRA-FIX/fix_ttm_mod.h +++ b/src/EXTRA-FIX/fix_ttm_mod.h @@ -61,7 +61,6 @@ class FixTTMMod : public Fix { char *infile, *outfile; class RanMars *random; - FILE *fp; int nxgrid, nygrid, nzgrid; int ngridtotal;