a few more converted commands and updates for unit tests

src/GPU/fix_gpu.cpp

@@ -138,6 +138,10 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
       if (iarg+2 > narg) error->all(FLERR,"Illegal package gpu command");
       if (strcmp(arg[iarg+1],"yes") == 0) _gpu_mode = GPU_NEIGH;
       else if (strcmp(arg[iarg+1],"no") == 0) _gpu_mode = GPU_FORCE;
+      else if (strcmp(arg[iarg+1],"on") == 0) _gpu_mode = GPU_NEIGH;
+      else if (strcmp(arg[iarg+1],"off") == 0) _gpu_mode = GPU_FORCE;
+      else if (strcmp(arg[iarg+1],"true") == 0) _gpu_mode = GPU_NEIGH;
+      else if (strcmp(arg[iarg+1],"false") == 0) _gpu_mode = GPU_FORCE;
       else if (strcmp(arg[iarg+1],"hybrid") == 0) _gpu_mode = GPU_HYB_NEIGH;
       else error->all(FLERR,"Illegal package gpu command");
       iarg += 2;

src/H5MD/dump_h5md.cpp

@@ -460,9 +460,7 @@ int DumpH5MD::modify_param(int narg, char **arg)
 {
   if (strcmp(arg[0],"unwrap") == 0) {
     if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
-    if (strcmp(arg[1],"yes") == 0) unwrap_flag = 1;
+    unwrap_flag = utils::logical(FLERR, arg[1], false, lmp);
-    else if (strcmp(arg[1],"no") == 0) unwrap_flag = 0;
-    else error->all(FLERR,"Illegal dump_modify command");
     return 2;
   }
   return 0;

src/LATBOLTZ/fix_lb_rigid_pc_sphere.cpp

@@ -19,19 +19,19 @@
 
 #include "fix_lb_rigid_pc_sphere.h"
 
-#include <cmath>
-
-#include <cstring>
 #include "atom.h"
-#include "domain.h"
-#include "update.h"
-#include "modify.h"
-#include "group.h"
 #include "comm.h"
-#include "force.h"
+#include "domain.h"
-#include "memory.h"
 #include "error.h"
 #include "fix_lb_fluid.h"
+#include "force.h"
+#include "group.h"
+#include "memory.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -237,15 +237,9 @@ FixLbRigidPCSphere::FixLbRigidPCSphere(LAMMPS *lmp, int narg, char **arg) :
       utils::bounds(FLERR,arg[iarg+1],1,nbody,mlo,mhi,error);
 
       double xflag,yflag,zflag;
-      if (strcmp(arg[iarg+2],"off") == 0) xflag = 0.0;
+      xflag = (double) utils::logical(FLERR, arg[iarg+2], false, lmp);
-      else if (strcmp(arg[iarg+2],"on") == 0) xflag = 1.0;
+      yflag = (double) utils::logical(FLERR, arg[iarg+3], false, lmp);
-      else error->all(FLERR,"Illegal fix lb/rigid/pc/sphere command");
+      zflag = (double) utils::logical(FLERR, arg[iarg+4], false, lmp);
-      if (strcmp(arg[iarg+2],"off") == 0) yflag = 0.0;
-      else if (strcmp(arg[iarg+3],"on") == 0) yflag = 1.0;
-      else error->all(FLERR,"Illegal fix lb/rigid/pc/sphere command");
-      if (strcmp(arg[iarg+4],"off") == 0) zflag = 0.0;
-      else if (strcmp(arg[iarg+4],"on") == 0) zflag = 1.0;
-      else error->all(FLERR,"Illegal fix lb/rigid/pc/sphere command");
 
       int count = 0;
       for (int m = mlo; m <= mhi; m++) {

src/MISC/fix_imd.cpp

@@ -458,28 +458,20 @@ FixIMD::FixIMD(LAMMPS *lmp, int narg, char **arg) :
   imd_trate = 1;
 
   /* parse optional arguments */
-  int argsdone = 4;
+  int iarg = 4;
-  while (argsdone+1 < narg) {
+  while (iarg+1 < narg) {
-    if (0 == strcmp(arg[argsdone], "unwrap")) {
+    if (0 == strcmp(arg[iarg], "unwrap")) {
-      if (0 == strcmp(arg[argsdone+1], "on")) {
+      unwrap_flag = utils::logical(FLERR, arg[iarg+1], false, lmp);
-        unwrap_flag = 1;
+    } else if (0 == strcmp(arg[iarg], "nowait")) {
-      } else {
+      nowait_flag = utils::logical(FLERR, arg[iarg+1], false, lmp);
-        unwrap_flag = 0;
+    } else if (0 == strcmp(arg[iarg], "fscale")) {
-      }
+      imd_fscale = utils::numeric(FLERR,arg[iarg+1],false,lmp);
-    } else if (0 == strcmp(arg[argsdone], "nowait")) {
+    } else if (0 == strcmp(arg[iarg], "trate")) {
-      if (0 == strcmp(arg[argsdone+1], "on")) {
+      imd_trate = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-        nowait_flag = 1;
-      } else {
-        nowait_flag = 0;
-      }
-    } else if (0 == strcmp(arg[argsdone], "fscale")) {
-      imd_fscale = utils::numeric(FLERR,arg[argsdone+1],false,lmp);
-    } else if (0 == strcmp(arg[argsdone], "trate")) {
-      imd_trate = utils::inumeric(FLERR,arg[argsdone+1],false,lmp);
     } else {
       error->all(FLERR,"Unknown fix imd parameter");
     }
-    ++argsdone; ++argsdone;
+    ++iarg; ++iarg;
   }
 
   /* sanity check on parameters */

src/MISC/pair_srp.cpp

@@ -378,12 +378,8 @@ void PairSRP::settings(int narg, char **arg)
   while (iarg < narg) {
     if (strcmp(arg[iarg],"exclude") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal pair srp command");
-      if (strcmp(arg[iarg+1],"yes") == 0)
+      exclude = utils::logical(FLERR, arg[iarg+1], false, lmp);
-        exclude = 1;
+      if (min && !exclude) error->all(FLERR,"Illegal exclude option in pair srp command");
-      if (strcmp(arg[iarg+1],"no") == 0) {
-        if (min) error->all(FLERR,"Illegal exclude option in pair srp command");
-        exclude = 0;
-      }
       iarg += 2;
     } else if (strcmp(arg[iarg],"bptype") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal pair srp command");

src/ML-HDNNP/pair_hdnnp.cpp

@@ -148,12 +148,7 @@ void PairHDNNP::settings(int narg, char **arg)
       // show extrapolation warnings
     } else if (strcmp(arg[iarg], "showew") == 0) {
       if (iarg + 2 > narg) error->all(FLERR, "Illegal pair_style command");
-      if (strcmp(arg[iarg + 1], "yes") == 0)
+      showew = utils::logical(FLERR, arg[iarg + 1], false, lmp) == 1;
-        showew = true;
-      else if (strcmp(arg[iarg + 1], "no") == 0)
-        showew = false;
-      else
-        error->all(FLERR, "Illegal pair_style command");
       iarg += 2;
       // show extrapolation warning summary
     } else if (strcmp(arg[iarg], "showewsum") == 0) {
@@ -168,12 +163,7 @@ void PairHDNNP::settings(int narg, char **arg)
       // reset extrapolation warning counter
     } else if (strcmp(arg[iarg], "resetew") == 0) {
       if (iarg + 2 > narg) error->all(FLERR, "Illegal pair_style command");
-      if (strcmp(arg[iarg + 1], "yes") == 0)
+      resetew = utils::logical(FLERR, arg[iarg + 1], false, lmp) == 1;
-        resetew = true;
-      else if (strcmp(arg[iarg + 1], "no") == 0)
-        resetew = false;
-      else
-        error->all(FLERR, "Illegal pair_style command");
       iarg += 2;
       // length unit conversion factor
     } else if (strcmp(arg[iarg], "cflength") == 0) {

src/MSCG/fix_mscg.cpp

@@ -18,9 +18,6 @@
 
 #include "fix_mscg.h"
 
-#include <cstring>
-
-#include "mscg.h"
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
@@ -35,6 +32,10 @@
 #include "update.h"
 #include "variable.h"
 
+#include <cstring>
+
+#include "mscg.h"
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
@@ -49,8 +50,7 @@ FixMSCG::FixMSCG(LAMMPS *lmp, int narg, char **arg) :
 
   me = comm->me;
   nprocs = comm->nprocs;
-  if (nprocs > 1) error->all(FLERR,"Fix mscg does not yet support "
+  if (nprocs > 1) error->all(FLERR,"Fix mscg does not yet support parallel use via MPI");
-                             "parallel use via MPI");
 
   if (sizeof(tagint) != sizeof(smallint))
     error->all(FLERR,"Fix mscg must be used with 32-bit atom IDs");
@@ -77,11 +77,7 @@ FixMSCG::FixMSCG(LAMMPS *lmp, int narg, char **arg) :
   while (iarg < narg) {
     if (strcmp(arg[iarg],"range") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix mscg command");
-      if (strcmp(arg[iarg+1],"on") == 0)
+      range_flag = utils::logical(FLERR, arg[iarg+1], false, lmp);
-        range_flag = 1;
-      else if (strcmp(arg[iarg+1],"off") == 0)
-        range_flag = 0;
-      else error->all(FLERR,"Illegal fix mscg command");
       iarg += 2;
     } else if (strcmp(arg[iarg],"name") == 0) {
       if (iarg+ntypes+1 > narg)
@@ -89,23 +85,23 @@ FixMSCG::FixMSCG(LAMMPS *lmp, int narg, char **arg) :
       name_flag = 1;
       for (int i = 0; i < ntypes; i++) {
         iarg += 1;
-        std::string str = arg[iarg];
+        delete[] type_names[i];
-        type_names[i] = strcat(strdup(str.c_str()),"\0");
+        type_names[i] = utils::strdup(arg[iarg]);
       }
       iarg += 1;
     } else if (strcmp(arg[iarg],"max") == 0) {
       if (iarg+4 > narg) error->all(FLERR,"Illegal fix mscg command");
-      max_partners_bond = atoi(arg[iarg+1]);
+      max_partners_bond = utils::inumeric(FLERR,arg[iarg+1],false, lmp);
-      max_partners_angle = atoi(arg[iarg+2]);
+      max_partners_angle = utils::inumeric(FLERR,arg[iarg+2],false, lmp);
-      max_partners_dihedral = atoi(arg[iarg+3]);
+      max_partners_dihedral = utils::inumeric(FLERR,arg[iarg+3],false, lmp);
       iarg += 4;
     } else error->all(FLERR,"Illegal fix mscg command");
   }
 
   if (name_flag == 0) {
     for (int i = 0; i < natoms; i++) {
-      std::string str = std::to_string(i+1);
+      delete[] type_names[i];
-      type_names[i] = strcat(strdup(str.c_str()),"\0");
+      type_names[i] = utils::strdup(std::to_string(i+1));
     }
   }
 }
@@ -114,6 +110,9 @@ FixMSCG::FixMSCG(LAMMPS *lmp, int narg, char **arg) :
 
 FixMSCG::~FixMSCG()
 {
+  int natoms = atom->natoms;
+  for (int i = 0; i < natoms; i++) delete[] type_names[i];
+  delete[] type_names;
   memory->destroy(f);
 }
 
@@ -321,8 +320,7 @@ void FixMSCG::post_run()
   if (nframes != n_frames)
     error->warning(FLERR,"Fix mscg n_frames is inconsistent with control.in");
   if (nframes % block_size != 0)
-    error->warning(FLERR,"Fix mscg n_frames is not divisible by "
+    error->warning(FLERR,"Fix mscg n_frames is not divisible by block_size in control.in");
-                   "block_size in control.in");
 
   if (range_flag)
     rangefinder_solve_and_output(mscg_struct);

src/PHONON/dynamical_matrix.cpp

@@ -181,30 +181,29 @@ void DynamicalMatrix::command(int narg, char **arg)
 
 void DynamicalMatrix::options(int narg, char **arg)
 {
-    if (narg < 0) error->all(FLERR,"Illegal dynamical_matrix command");
+  if (narg < 0) error->all(FLERR,"Illegal dynamical_matrix command");
-    int iarg = 0;
+  int iarg = 0;
-    const char* filename = "dynmat.dyn";
+  const char* filename = "dynmat.dyn";
-    while (iarg < narg) {
+  while (iarg < narg) {
-        if (strcmp(arg[iarg],"binary") == 0) {
+    if (strcmp(arg[iarg],"binary") == 0) {
-            if (iarg + 2 > narg) error->all(FLERR, "Illegal dynamical_matrix command");
+      if (iarg + 2 > narg) error->all(FLERR, "Illegal dynamical_matrix command");
-            if (strcmp(arg[iarg+1],"gzip") == 0) {
+      if (strcmp(arg[iarg+1],"gzip") == 0) {
-                compressed = 1;
+        compressed = 1;
-            }
+      } else if (strcmp(arg[iarg+1],"yes") == 0) {
-            else if (strcmp(arg[iarg+1],"yes") == 0) {
+        binaryflag = 1;
-                binaryflag = 1;
+      }
-            }
+      iarg += 2;
-            iarg += 2;
-        }
-        else if (strcmp(arg[iarg],"file") == 0) {
-            if (iarg+2 > narg) error->all(FLERR, "Illegal dynamical_matrix command");
-            filename = arg[iarg + 1];
-            file_flag = 1;
-            iarg += 2;
-        } else error->all(FLERR,"Illegal dynamical_matrix command");
-    }
-    if (file_flag == 1) {
-        openfile(filename);
     }
+    else if (strcmp(arg[iarg],"file") == 0) {
+      if (iarg+2 > narg) error->all(FLERR, "Illegal dynamical_matrix command");
+      filename = arg[iarg + 1];
+      file_flag = 1;
+      iarg += 2;
+    } else error->all(FLERR,"Illegal dynamical_matrix command");
+  }
+  if (file_flag == 1) {
+    openfile(filename);
+  }
 }
 
 /* ----------------------------------------------------------------------

src/SPIN/pair_spin_exchange.cpp

@@ -105,7 +105,6 @@ void PairSpinExchange::coeff(int narg, char **arg)
 
   // get exchange arguments from input command
 
-  int iarg = 7;
   const double rc = utils::numeric(FLERR,arg[3],false,lmp);
   const double j1 = utils::numeric(FLERR,arg[4],false,lmp);
   const double j2 = utils::numeric(FLERR,arg[5],false,lmp);
@@ -113,13 +112,10 @@ void PairSpinExchange::coeff(int narg, char **arg)
 
   // read energy offset flag if specified
 
+  int iarg = 7;
   while (iarg < narg) {
-    if (strcmp(arg[7],"offset") == 0) {
+    if (strcmp(arg[iarg],"offset") == 0) {
-      if (strcmp(arg[8],"yes") == 0) {
+      e_offset = utils::logical(FLERR, arg[iarg+1], false, lmp);
-        e_offset = 1;
-      } else if  (strcmp(arg[8],"no") == 0) {
-        e_offset = 0;
-      } else error->all(FLERR,"Incorrect args for pair coefficients");
       iarg += 2;
     } else error->all(FLERR,"Incorrect args for pair coefficients");
   }

src/SRD/fix_srd.cpp

@@ -142,12 +142,7 @@ FixSRD::FixSRD(LAMMPS *lmp, int narg, char **arg) :
       iarg += 2;
     } else if (strcmp(arg[iarg], "overlap") == 0) {
       if (iarg + 2 > narg) error->all(FLERR, "Illegal fix srd command");
-      if (strcmp(arg[iarg + 1], "yes") == 0)
+      overlap = utils::logical(FLERR,arg[iarg+1],false,lmp);
-        overlap = 1;
-      else if (strcmp(arg[iarg + 1], "no") == 0)
-        overlap = 0;
-      else
-        error->all(FLERR, "Illegal fix srd command");
       iarg += 2;
     } else if (strcmp(arg[iarg], "inside") == 0) {
       if (iarg + 2 > narg) error->all(FLERR, "Illegal fix srd command");
@@ -162,12 +157,7 @@ FixSRD::FixSRD(LAMMPS *lmp, int narg, char **arg) :
       iarg += 2;
     } else if (strcmp(arg[iarg], "exact") == 0) {
       if (iarg + 2 > narg) error->all(FLERR, "Illegal fix srd command");
-      if (strcmp(arg[iarg + 1], "yes") == 0)
+      exactflag = utils::logical(FLERR,arg[iarg+1],false,lmp);
-        exactflag = 1;
-      else if (strcmp(arg[iarg + 1], "no") == 0)
-        exactflag = 0;
-      else
-        error->all(FLERR, "Illegal fix srd command");
       iarg += 2;
     } else if (strcmp(arg[iarg], "radius") == 0) {
       if (iarg + 2 > narg) error->all(FLERR, "Illegal fix srd command");
@@ -206,12 +196,7 @@ FixSRD::FixSRD(LAMMPS *lmp, int narg, char **arg) :
       iarg += 3;
     } else if (strcmp(arg[iarg], "tstat") == 0) {
       if (iarg + 2 > narg) error->all(FLERR, "Illegal fix srd command");
-      if (strcmp(arg[iarg + 1], "no") == 0)
+      tstat = utils::logical(FLERR,arg[iarg+1],false,lmp);
-        tstat = 0;
-      else if (strcmp(arg[iarg + 1], "yes") == 0)
-        tstat = 1;
-      else
-        error->all(FLERR, "Illegal fix srd command");
       iarg += 2;
     } else if (strcmp(arg[iarg], "rescale") == 0) {
       if (iarg + 2 > narg) error->all(FLERR, "Illegal fix srd command");

src/lammps.cpp

@@ -270,8 +270,8 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator) :
       else if (strcmp(arg[iarg+1],"off") == 0) kokkosflag = 0;
       else if (strcmp(arg[iarg+1],"yes") == 0) kokkosflag = 1;
       else if (strcmp(arg[iarg+1],"no") == 0) kokkosflag = 0;
-      else if (strcmp(arg[iarg+1],"1") == 0) kokkosflag = 1;
+      else if (strcmp(arg[iarg+1],"true") == 0) kokkosflag = 1;
-      else if (strcmp(arg[iarg+1],"0") == 0) kokkosflag = 0;
+      else if (strcmp(arg[iarg+1],"false") == 0) kokkosflag = 0;
       else error->universe_all(FLERR,"Invalid command-line argument");
       iarg += 2;
       // delimit any extra args for the Kokkos instantiation

src/read_dump.cpp

@@ -1235,6 +1235,8 @@ int ReadDump::fields_and_keywords(int narg, char **arg)
       if (iarg+2 > narg) error->all(FLERR,"Illegal read_dump command");
       if (strcmp(arg[iarg+1],"yes") == 0) addflag = YESADD;
       else if (strcmp(arg[iarg+1],"no") == 0) addflag = NOADD;
+      else if (strcmp(arg[iarg+1],"true") == 0) addflag = YESADD;
+      else if (strcmp(arg[iarg+1],"false") == 0) addflag = NOADD;
       else if (strcmp(arg[iarg+1],"keep") == 0) addflag = KEEPADD;
       else error->all(FLERR,"Illegal read_dump command");
       iarg += 2;

unittest/formats/test_input_convert.cpp

@@ -41,26 +41,38 @@ protected:
 TEST_F(InputConvertTest, logical)
 {
     EXPECT_EQ(utils::logical(FLERR, "yes", false, lmp), 1);
-    EXPECT_EQ(utils::logical(FLERR, "Yes", false, lmp), 1);
-    EXPECT_EQ(utils::logical(FLERR, "YES", false, lmp), 1);
-    EXPECT_EQ(utils::logical(FLERR, "yEs", false, lmp), 1);
     EXPECT_EQ(utils::logical(FLERR, "true", false, lmp), 1);
-    EXPECT_EQ(utils::logical(FLERR, "True", false, lmp), 1);
-    EXPECT_EQ(utils::logical(FLERR, "TRUE", false, lmp), 1);
     EXPECT_EQ(utils::logical(FLERR, "on", false, lmp), 1);
-    EXPECT_EQ(utils::logical(FLERR, "On", false, lmp), 1);
-    EXPECT_EQ(utils::logical(FLERR, "ON", false, lmp), 1);
     EXPECT_EQ(utils::logical(FLERR, "1", false, lmp), 1);
     EXPECT_EQ(utils::logical(FLERR, "no", false, lmp), 0);
-    EXPECT_EQ(utils::logical(FLERR, "No", false, lmp), 0);
+    EXPECT_EQ(utils::logical(FLERR, "false", false, lmp), 0);
-    EXPECT_EQ(utils::logical(FLERR, "NO", false, lmp), 0);
-    EXPECT_EQ(utils::logical(FLERR, "nO", false, lmp), 0);
     EXPECT_EQ(utils::logical(FLERR, "off", false, lmp), 0);
-    EXPECT_EQ(utils::logical(FLERR, "Off", false, lmp), 0);
-    EXPECT_EQ(utils::logical(FLERR, "OFF", false, lmp), 0);
-    EXPECT_EQ(utils::logical(FLERR, "OfF", false, lmp), 0);
     EXPECT_EQ(utils::logical(FLERR, "0", false, lmp), 0);
 
+    TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
+                 utils::logical(FLERR, "YES", false, lmp););
+    TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
+                 utils::logical(FLERR, "Yes", false, lmp););
+    TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
+                 utils::logical(FLERR, "On", false, lmp););
+    TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
+                 utils::logical(FLERR, "ON", false, lmp););
+    TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
+                 utils::logical(FLERR, "TRUE", false, lmp););
+    TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
+                 utils::logical(FLERR, "True", false, lmp););
+    TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
+                 utils::logical(FLERR, "NO", false, lmp););
+    TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
+                 utils::logical(FLERR, "No", false, lmp););
+    TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
+                 utils::logical(FLERR, "Off", false, lmp););
+    TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
+                 utils::logical(FLERR, "OFF", false, lmp););
+    TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
+                 utils::logical(FLERR, "FALSE", false, lmp););
+    TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
+                 utils::logical(FLERR, "False", false, lmp););
     TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",
                  utils::logical(FLERR, "yay", false, lmp););
     TEST_FAILURE(".*ERROR: Expected boolean parameter instead of.*",