From 899fa8166a6d871068f4afaa9887fcd455c3aa7f Mon Sep 17 00:00:00 2001
From: Fernando Posada <efposadac@gmail.com>
Date: Mon, 8 Aug 2022 17:31:42 -0400
Subject: [PATCH 1/9] Initial modifications LAMMPS code clinic 2022

---
 src/fix_nh.cpp | 38 +++++++++++++++++++-------------------
 1 file changed, 19 insertions(+), 19 deletions(-)

diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp
index cb0408a50c..d62b13d858 100644
--- a/src/fix_nh.cpp
+++ b/src/fix_nh.cpp
@@ -658,19 +658,19 @@ void FixNH::init()
 
   // set temperature and pressure ptrs
 
-  int icompute = modify->find_compute(id_temp);
-  if (icompute < 0)
-    error->all(FLERR,"Temperature ID for fix nvt/npt does not exist");
-  temperature = modify->compute[icompute];
+  auto icompute = modify->get_compute_by_id(id_temp);
+  if (!icompute)
+    error->all(FLERR,"Temperature ID {} for fix nvt/npt does not exist", id_temp);
+  temperature = icompute;
 
   if (temperature->tempbias) which = BIAS;
   else which = NOBIAS;
 
   if (pstat_flag) {
-    icompute = modify->find_compute(id_press);
-    if (icompute < 0)
-      error->all(FLERR,"Pressure ID for fix npt/nph does not exist");
-    pressure = modify->compute[icompute];
+    icompute = modify->get_compute_by_id(id_press);
+    if (!icompute)
+      error->all(FLERR,"Pressure ID {} for fix npt/nph does not exist", id_press);
+    pressure = icompute;
   }
 
   // set timesteps and frequencies
@@ -1411,10 +1411,10 @@ int FixNH::modify_param(int narg, char **arg)
     delete [] id_temp;
     id_temp = utils::strdup(arg[1]);
 
-    int icompute = modify->find_compute(arg[1]);
-    if (icompute < 0)
-      error->all(FLERR,"Could not find fix_modify temperature ID");
-    temperature = modify->compute[icompute];
+    auto icompute = modify->get_compute_by_id(arg[1]);
+    if (!icompute)
+      error->all(FLERR,"Could not find fix_modify temperature ID {}", arg[1]);
+    temperature = icompute;
 
     if (temperature->tempflag == 0)
       error->all(FLERR,
@@ -1425,10 +1425,10 @@ int FixNH::modify_param(int narg, char **arg)
     // reset id_temp of pressure to new temperature ID
 
     if (pstat_flag) {
-      icompute = modify->find_compute(id_press);
-      if (icompute < 0)
-        error->all(FLERR,"Pressure ID for fix modify does not exist");
-      modify->compute[icompute]->reset_extra_compute_fix(id_temp);
+      icompute = modify->get_compute_by_id(id_press);
+      if (!icompute)
+        error->all(FLERR,"Pressure ID {} for fix modify does not exist", id_press);
+      icompute->reset_extra_compute_fix(id_temp);
     }
 
     return 2;
@@ -1443,9 +1443,9 @@ int FixNH::modify_param(int narg, char **arg)
     delete [] id_press;
     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");
-    pressure = modify->compute[icompute];
+    auto icompute = modify->get_compute_by_id(arg[1]);
+    if (!icompute) error->all(FLERR,"Could not find fix_modify pressure ID {}", arg[1]);
+    pressure = icompute;
 
     if (pressure->pressflag == 0)
       error->all(FLERR,"Fix_modify pressure ID does not compute pressure");

From 6873ebb17a9371f215bf75da47e60ceca68aea3d Mon Sep 17 00:00:00 2001
From: Fernando Posada <efposadac@gmail.com>
Date: Tue, 9 Aug 2022 14:01:49 -0400
Subject: [PATCH 2/9] LAMMPS code clinic 2022 project 2: Replacing find_compute
 with get_compute_by_id where possible.

---
 src/compute_angmom_chunk.cpp      |  7 ++-----
 src/compute_chunk_spread_atom.cpp | 28 +++++++++++++---------------
 src/fix_nh.cpp                    | 22 +++++++++-------------
 3 files changed, 24 insertions(+), 33 deletions(-)

diff --git a/src/compute_angmom_chunk.cpp b/src/compute_angmom_chunk.cpp
index 226e0cd646..a44e577de0 100644
--- a/src/compute_angmom_chunk.cpp
+++ b/src/compute_angmom_chunk.cpp
@@ -185,11 +185,8 @@ void ComputeAngmomChunk::lock_enable()
 
 void ComputeAngmomChunk::lock_disable()
 {
-  int icompute = modify->find_compute(idchunk);
-  if (icompute >= 0) {
-    cchunk = dynamic_cast<ComputeChunkAtom *>(modify->compute[icompute]);
-    cchunk->lockcount--;
-  }
+  cchunk =  dynamic_cast<ComputeChunkAtom *>(modify->get_compute_by_id(idchunk));
+  if(cchunk) cchunk->lockcount--;
 }
 
 /* ----------------------------------------------------------------------
diff --git a/src/compute_chunk_spread_atom.cpp b/src/compute_chunk_spread_atom.cpp
index 3781e83aa7..a68174e058 100644
--- a/src/compute_chunk_spread_atom.cpp
+++ b/src/compute_chunk_spread_atom.cpp
@@ -89,21 +89,21 @@ ComputeChunkSpreadAtom(LAMMPS *lmp, int narg, char **arg) :
 
   for (int i = 0; i < nvalues; i++) {
     if (which[i] == ArgInfo::COMPUTE) {
-      int icompute = modify->find_compute(ids[i]);
-      if (icompute < 0)
-        error->all(FLERR,"Compute ID for compute chunk/spread/atom does not exist");
+      auto icompute = modify->get_compute_by_id(ids[i]);
+      if (!icompute)
+        error->all(FLERR,"Compute ID {} for compute chunk/spread/atom does not exist", ids[i]);
 
-      if (!utils::strmatch(modify->compute[icompute]->style,"/chunk$"))
+      if (!utils::strmatch(icompute->style,"/chunk$"))
         error->all(FLERR,"Compute for compute chunk/spread/atom "
                    "does not calculate per-chunk values");
 
       if (argindex[i] == 0) {
-        if (!modify->compute[icompute]->vector_flag)
+        if (!icompute->vector_flag)
           error->all(FLERR,"Compute chunk/spread/atom compute does not calculate global vector");
       } else {
-        if (!modify->compute[icompute]->array_flag)
+        if (!icompute->array_flag)
           error->all(FLERR,"Compute chunk/spread/atom compute does not calculate global array");
-        if (argindex[i] > modify->compute[icompute]->size_array_cols)
+        if (argindex[i] > icompute->size_array_cols)
           error->all(FLERR,"Compute chunk/spread/atom compute array is accessed out-of-range");
       }
 
@@ -164,14 +164,13 @@ void ComputeChunkSpreadAtom::init()
     if (which[m] == ArgInfo::COMPUTE) {
       int icompute = modify->find_compute(ids[m]);
       if (icompute < 0)
-        error->all(FLERR,"Compute ID for compute chunk/spread/atom "
-                   "does not exist");
+        error->all(FLERR,"Compute ID {} for compute chunk/spread/atom does not exist", ids[m]);
       value2index[m] = icompute;
 
     } else if (which[m] == ArgInfo::FIX) {
       int ifix = modify->find_fix(ids[m]);
       if (ifix < 0)
-        error->all(FLERR,"Fix ID for compute chunk/spread/atom does not exist");
+        error->all(FLERR,"Fix ID {} for compute chunk/spread/atom does not exist", ids[m]);
       value2index[m] = ifix;
     }
   }
@@ -181,12 +180,11 @@ void ComputeChunkSpreadAtom::init()
 
 void ComputeChunkSpreadAtom::init_chunk()
 {
-  int icompute = modify->find_compute(idchunk);
-  if (icompute < 0)
-    error->all(FLERR,"Chunk/atom compute does not exist for compute chunk/spread/atom");
-  cchunk = dynamic_cast<ComputeChunkAtom *>( modify->compute[icompute]);
+  cchunk = dynamic_cast<ComputeChunkAtom *>( modify->get_compute_by_id(idchunk));
+  if (!cchunk)
+    error->all(FLERR,"Chunk/atom compute does not exist for compute chunk/spread/atom {}", idchunk);
   if (strcmp(cchunk->style,"chunk/atom") != 0)
-    error->all(FLERR,"Compute chunk/spread/atom does not use chunk/atom compute");
+    error->all(FLERR,"Compute chunk/spread/atom {} does not use chunk/atom compute", idchunk);
 }
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp
index d62b13d858..ecabfde86b 100644
--- a/src/fix_nh.cpp
+++ b/src/fix_nh.cpp
@@ -658,19 +658,17 @@ void FixNH::init()
 
   // set temperature and pressure ptrs
 
-  auto icompute = modify->get_compute_by_id(id_temp);
-  if (!icompute)
+  temperature = modify->get_compute_by_id(id_temp);
+  if (!temperature)
     error->all(FLERR,"Temperature ID {} for fix nvt/npt does not exist", id_temp);
-  temperature = icompute;
 
   if (temperature->tempbias) which = BIAS;
   else which = NOBIAS;
 
   if (pstat_flag) {
-    icompute = modify->get_compute_by_id(id_press);
-    if (!icompute)
+    pressure = modify->get_compute_by_id(id_press);
+    if (!pressure)
       error->all(FLERR,"Pressure ID {} for fix npt/nph does not exist", id_press);
-    pressure = icompute;
   }
 
   // set timesteps and frequencies
@@ -1411,10 +1409,9 @@ int FixNH::modify_param(int narg, char **arg)
     delete [] id_temp;
     id_temp = utils::strdup(arg[1]);
 
-    auto icompute = modify->get_compute_by_id(arg[1]);
-    if (!icompute)
+    temperature = modify->get_compute_by_id(arg[1]);
+    if (!temperature)
       error->all(FLERR,"Could not find fix_modify temperature ID {}", arg[1]);
-    temperature = icompute;
 
     if (temperature->tempflag == 0)
       error->all(FLERR,
@@ -1425,7 +1422,7 @@ int FixNH::modify_param(int narg, char **arg)
     // reset id_temp of pressure to new temperature ID
 
     if (pstat_flag) {
-      icompute = modify->get_compute_by_id(id_press);
+      auto icompute = modify->get_compute_by_id(id_press);
       if (!icompute)
         error->all(FLERR,"Pressure ID {} for fix modify does not exist", id_press);
       icompute->reset_extra_compute_fix(id_temp);
@@ -1443,9 +1440,8 @@ int FixNH::modify_param(int narg, char **arg)
     delete [] id_press;
     id_press = utils::strdup(arg[1]);
 
-    auto icompute = modify->get_compute_by_id(arg[1]);
-    if (!icompute) error->all(FLERR,"Could not find fix_modify pressure ID {}", arg[1]);
-    pressure = icompute;
+    pressure = modify->get_compute_by_id(arg[1]);
+    if (!pressure) error->all(FLERR,"Could not find fix_modify pressure ID {}", arg[1]);
 
     if (pressure->pressflag == 0)
       error->all(FLERR,"Fix_modify pressure ID does not compute pressure");

From af1c7721579284d1777080d3b5ebbd0c72b58dfd Mon Sep 17 00:00:00 2001
From: Jiancheng Chen <2742581175@qq.com>
Date: Thu, 11 Aug 2022 19:08:11 +0800
Subject: [PATCH 3/9] made some changes on minimize.cpp

---
 src/minimize.cpp | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/src/minimize.cpp b/src/minimize.cpp
index e9c6ec25b3..f4743d1815 100644
--- a/src/minimize.cpp
+++ b/src/minimize.cpp
@@ -31,7 +31,7 @@ Minimize::Minimize(LAMMPS *lmp) : Command(lmp) {}
 
 void Minimize::command(int narg, char **arg)
 {
-  if (narg != 4) error->all(FLERR, "Illegal minimize command");
+  if (narg != 4) error->all(FLERR,"Illegal minimize command: expected 4 arguments but found {}", narg);
 
   if (domain->box_exist == 0)
     error->all(FLERR, "Minimize command before simulation box is defined");
@@ -44,7 +44,8 @@ void Minimize::command(int narg, char **arg)
   update->nsteps = utils::inumeric(FLERR, arg[2], false, lmp);
   update->max_eval = utils::inumeric(FLERR, arg[3], false, lmp);
 
-  if (update->etol < 0.0 || update->ftol < 0.0) error->all(FLERR, "Illegal minimize command");
+  if (update->etol < 0.0) error->all(FLERR, "Illegal minimize energy tolerance: {}", update->etol);
+  if (update->ftol < 0.0) error->all(FLERR, "Illegal minimize force tolerance: {}", update->ftol);
 
   if (lmp->citeme) lmp->citeme->flush();
   update->whichflag = 2;

From 6d624b782d22120f05be28cc23c180135a2886c4 Mon Sep 17 00:00:00 2001
From: Jiancheng Chen <2742581175@qq.com>
Date: Fri, 12 Aug 2022 12:12:22 +0800
Subject: [PATCH 4/9] made some changes on neighbor.cpp

---
 src/neighbor.cpp | 82 ++++++++++++++++++++++--------------------------
 1 file changed, 37 insertions(+), 45 deletions(-)

diff --git a/src/neighbor.cpp b/src/neighbor.cpp
index b6b095ddf4..1a7516cbce 100644
--- a/src/neighbor.cpp
+++ b/src/neighbor.cpp
@@ -1164,7 +1164,6 @@ void Neighbor::morph_unique()
 
       if (irq->cutoff != cutneighmax) {
         irq->unique = 1;
-
       } else {
         irq->cut = 0;
         irq->cutoff = 0.0;
@@ -1808,7 +1807,6 @@ void Neighbor::print_pairwise_info()
     out += "      ";
     if (lists[i]->bin_method == 0) out += "bin: none\n";
     else out += fmt::format("bin: {}\n",binnames[lists[i]->bin_method-1]);
-
   }
   utils::logmesg(lmp,out);
 }
@@ -2582,60 +2580,58 @@ void Neighbor::modify_params(int narg, char **arg)
   int iarg = 0;
   while (iarg < narg) {
     if (strcmp(arg[iarg],"every") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
+      if (iarg+2 > narg) error->all(FLERR, "Invalid every keyword: expected 1 every argument");
       every = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      if (every <= 0) error->all(FLERR,"Illegal neigh_modify command");
+      if (every <= 0) error->all(FLERR, "Invalid every argument: {}", every);
       iarg += 2;
     } else if (strcmp(arg[iarg],"delay") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
+      if (iarg+2 > narg) error->all(FLERR, "Invalid delay keyword: expected 1 delay argument");
       delay = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      if (delay < 0) error->all(FLERR,"Illegal neigh_modify command");
+      if (delay < 0) error->all(FLERR, "Invalid delay argument: {}", delay);
       iarg += 2;
     } else if (strcmp(arg[iarg],"check") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
+      if (iarg+2 > narg) error->all(FLERR, "Invalid check keyword: expected 1 check argument");
       dist_check = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"once") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
+      if (iarg+2 > narg) error->all(FLERR, "Invalid once keyword: expected 1 once argument");
       build_once = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"page") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
+      if (iarg+2 > narg) error->all(FLERR, "Invalid page keyword: expected 1 page argument");
       old_pgsize = pgsize;
       pgsize = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"one") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
+      if (iarg+2 > narg) error->all(FLERR, "Invalid one keyword: expected 1 one argument");
       old_oneatom = oneatom;
       oneatom = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"binsize") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
+      if (iarg+2 > narg) error->all(FLERR, "Invalid binsize keyword: expected 1 binsize argument");
       binsize_user = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       if (binsize_user <= 0.0) binsizeflag = 0;
       else binsizeflag = 1;
       iarg += 2;
     } else if (strcmp(arg[iarg],"cluster") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
+      if (iarg+2 > narg) error->all(FLERR, "Invalid cluster keyword: expected 1 cluster argument");
       cluster_check = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
-
     } else if (strcmp(arg[iarg],"include") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
+      if (iarg+2 > narg) error->all(FLERR, "Invalid include keyword: expected 1 include argument");
       includegroup = group->find(arg[iarg+1]);
-      if (includegroup < 0)
-        error->all(FLERR,"Invalid group ID in neigh_modify command");
-      if (includegroup && (atom->firstgroupname == nullptr ||
-                            strcmp(arg[iarg+1],atom->firstgroupname) != 0))
-        error->all(FLERR,
-                   "Neigh_modify include group != atom_modify first group");
+      if (includegroup == -1)
+        error->all(FLERR, "Invalid include keyword: group {} not found", arg[iarg+1]);
+      if (atom->firstgroupname == nullptr)
+          error->all(FLERR, "Invalid include keyword: atom_modify first command must be used");
+      if (strcmp(arg[iarg+1],atom->firstgroupname) != 0)
+        error->all(FLERR, "Neigh_modify include group != atom_modify first group: {}", atom->firstgroupname);
       iarg += 2;
-
     } else if (strcmp(arg[iarg],"exclude") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal neigh_modify command");
+      if (iarg+2 > narg) error->all(FLERR, "Invalid exclude keyword: loss exclude arguments");
 
       if (strcmp(arg[iarg+1],"type") == 0) {
-        if (iarg+4 > narg) error->all(FLERR,"Illegal neigh_modify command");
+        if (iarg+4 > narg) error->all(FLERR, "Invalid exclude type keyword: expected 2 type arguments");
         if (nex_type == maxex_type) {
           maxex_type += EXDELTA;
           memory->grow(ex1_type,maxex_type,"neigh:ex1_type");
@@ -2645,9 +2641,8 @@ void Neighbor::modify_params(int narg, char **arg)
         ex2_type[nex_type] = utils::inumeric(FLERR,arg[iarg+3],false,lmp);
         nex_type++;
         iarg += 4;
-
       } else if (strcmp(arg[iarg+1],"group") == 0) {
-        if (iarg+4 > narg) error->all(FLERR,"Illegal neigh_modify command");
+        if (iarg+4 > narg) error->all(FLERR, "Invalid exclude group keyword: expected 2 group arguments");
         if (nex_group == maxex_group) {
           maxex_group += EXDELTA;
           memory->grow(ex1_group,maxex_group,"neigh:ex1_group");
@@ -2655,14 +2650,15 @@ void Neighbor::modify_params(int narg, char **arg)
         }
         ex1_group[nex_group] = group->find(arg[iarg+2]);
         ex2_group[nex_group] = group->find(arg[iarg+3]);
-        if (ex1_group[nex_group] == -1 || ex2_group[nex_group] == -1)
-          error->all(FLERR,"Invalid group ID in neigh_modify command");
+        if (ex1_group[nex_group] == -1)
+          error->all(FLERR, "Invalid exclude group keyword: group {} not found", arg[iarg+2]);
+        if (ex2_group[nex_group] == -1)
+            error->all(FLERR, "Invalid exclude group keyword: group {} not found", arg[iarg+3]);
         nex_group++;
         iarg += 4;
-
       } else if (strcmp(arg[iarg+1],"molecule/inter") == 0 ||
                  strcmp(arg[iarg+1],"molecule/intra") == 0) {
-        if (iarg+3 > narg) error->all(FLERR,"Illegal neigh_modify command");
+        if (iarg+3 > narg) error->all(FLERR, "Invalid exclude molecule keyword: expected 1 molecule argument");
         if (atom->molecule_flag == 0)
           error->all(FLERR,"Neigh_modify exclude molecule "
                      "requires atom attribute molecule");
@@ -2676,30 +2672,28 @@ void Neighbor::modify_params(int narg, char **arg)
         }
         ex_mol_group[nex_mol] = group->find(arg[iarg+2]);
         if (ex_mol_group[nex_mol] == -1)
-          error->all(FLERR,"Invalid group ID in neigh_modify command");
+          error->all(FLERR, "Invalid exclude keyword:group {} not found", arg[iarg+2]);
         if (strcmp(arg[iarg+1],"molecule/intra") == 0)
           ex_mol_intra[nex_mol] = 1;
         else
           ex_mol_intra[nex_mol] = 0;
         nex_mol++;
         iarg += 3;
-
       } else if (strcmp(arg[iarg+1],"none") == 0) {
         nex_type = nex_group = nex_mol = 0;
         iarg += 2;
-
-      } else error->all(FLERR,"Illegal neigh_modify command");
+      } else error->all(FLERR,"Invalid exclude keyword: {} argument doesn't exist", arg[iarg+1]);
     } else if (strcmp(arg[iarg],"collection/interval") == 0) {
       if (style != Neighbor::MULTI)
         error->all(FLERR,"Cannot use collection/interval command without multi setting");
 
       if (iarg+2 > narg)
-        error->all(FLERR,"Invalid collection/interval command");
+        error->all(FLERR, "Invalid collection/interval keyword: number of custom collections isn't set");
       ncollections = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
       if (ncollections < 1)
-        error->all(FLERR,"Invalid collection/interval command");
-      if (iarg+1+ncollections > narg)
-        error->all(FLERR,"Invalid collection/interval command");
+        error->all(FLERR, "Invalid collection/interval keyword: illegal number of custom collections: {}", ncollections);
+      if (iarg+2+ncollections > narg)
+        error->all(FLERR, "Invalid collection/interval keyword: expected {} separate lists of types", ncollections);
 
       int i;
 
@@ -2728,12 +2722,12 @@ void Neighbor::modify_params(int narg, char **arg)
         error->all(FLERR,"Cannot use collection/type command without multi setting");
 
       if (iarg+2 > narg)
-        error->all(FLERR,"Invalid collection/type command");
+        error->all(FLERR, "Invalid collection/type keyword: number of custom collections isn't set");
       ncollections = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
       if (ncollections < 1)
-        error->all(FLERR,"Invalid collection/interval command");
-      if (iarg+1+ncollections > narg)
-        error->all(FLERR,"Invalid collection/type command");
+        error->all(FLERR, "Invalid collection/type keyword: illegal number of custom collections: {}", ncollections);
+      if (iarg+2+ncollections > narg)
+        error->all(FLERR, "Invalid collection/type keyword: expected {} separate lists of types", ncollections);
 
       int ntypes = atom->ntypes;
       int nlo, nhi, i, k;
@@ -2774,7 +2768,7 @@ void Neighbor::modify_params(int narg, char **arg)
       }
 
       iarg += 2 + ncollections;
-    } else error->all(FLERR,"Illegal neigh_modify command");
+    } else error->all(FLERR,"Illegal neigh_modify command: {} keyword doesn't exist", arg[iarg]);
   }
 }
 
@@ -2818,7 +2812,6 @@ void Neighbor::exclusion_group_group_delete(int group1, int group2)
   nex_group--;
 }
 
-
 /* ----------------------------------------------------------------------
    return the value of exclude - used to check compatibility with GPU
 ------------------------------------------------------------------------- */
@@ -2881,7 +2874,6 @@ void Neighbor::build_collection(int istart)
   }
 }
 
-
 /* ----------------------------------------------------------------------
    for neighbor list statistics in Finish class
 ------------------------------------------------------------------------- */
@@ -2956,4 +2948,4 @@ double Neighbor::memory_usage()
   if (neigh_improper) bytes += neigh_improper->memory_usage();
 
   return bytes;
-}
+}
\ No newline at end of file

From 98593b4ad581d74f39fa982705fa5845ac140d26 Mon Sep 17 00:00:00 2001
From: Jiancheng Chen <2742581175@qq.com>
Date: Sat, 13 Aug 2022 08:35:20 +0800
Subject: [PATCH 5/9] Improved from last revision of neighbor.cpp

---
 src/neighbor.cpp | 42 +++++++++++++++++++++---------------------
 1 file changed, 21 insertions(+), 21 deletions(-)

diff --git a/src/neighbor.cpp b/src/neighbor.cpp
index 1a7516cbce..9e74ad3809 100644
--- a/src/neighbor.cpp
+++ b/src/neighbor.cpp
@@ -2580,47 +2580,47 @@ void Neighbor::modify_params(int narg, char **arg)
   int iarg = 0;
   while (iarg < narg) {
     if (strcmp(arg[iarg],"every") == 0) {
-      if (iarg+2 > narg) error->all(FLERR, "Invalid every keyword: expected 1 every argument");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "neigh_modify every", error);
       every = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      if (every <= 0) error->all(FLERR, "Invalid every argument: {}", every);
+      if (every <= 0) error->all(FLERR, "Invalid neigh_modify every argument: {}", every);
       iarg += 2;
     } else if (strcmp(arg[iarg],"delay") == 0) {
-      if (iarg+2 > narg) error->all(FLERR, "Invalid delay keyword: expected 1 delay argument");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "neigh_modify delay", error);
       delay = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      if (delay < 0) error->all(FLERR, "Invalid delay argument: {}", delay);
+      if (delay < 0) error->all(FLERR, "Invalid neigh_modify delay argument: {}", delay);
       iarg += 2;
     } else if (strcmp(arg[iarg],"check") == 0) {
-      if (iarg+2 > narg) error->all(FLERR, "Invalid check keyword: expected 1 check argument");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "neigh_modify check", error);
       dist_check = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"once") == 0) {
-      if (iarg+2 > narg) error->all(FLERR, "Invalid once keyword: expected 1 once argument");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "neigh_modify once", error);
       build_once = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"page") == 0) {
-      if (iarg+2 > narg) error->all(FLERR, "Invalid page keyword: expected 1 page argument");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "neigh_modify page", error);
       old_pgsize = pgsize;
       pgsize = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"one") == 0) {
-      if (iarg+2 > narg) error->all(FLERR, "Invalid one keyword: expected 1 one argument");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "neigh_modify one", error);
       old_oneatom = oneatom;
       oneatom = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"binsize") == 0) {
-      if (iarg+2 > narg) error->all(FLERR, "Invalid binsize keyword: expected 1 binsize argument");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "neigh_modify binsize", error);
       binsize_user = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       if (binsize_user <= 0.0) binsizeflag = 0;
       else binsizeflag = 1;
       iarg += 2;
     } else if (strcmp(arg[iarg],"cluster") == 0) {
-      if (iarg+2 > narg) error->all(FLERR, "Invalid cluster keyword: expected 1 cluster argument");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "neigh_modify cluster", error);
       cluster_check = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"include") == 0) {
-      if (iarg+2 > narg) error->all(FLERR, "Invalid include keyword: expected 1 include argument");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "neigh_modify include", error);
       includegroup = group->find(arg[iarg+1]);
-      if (includegroup == -1)
+      if (includegroup < 0)
         error->all(FLERR, "Invalid include keyword: group {} not found", arg[iarg+1]);
       if (atom->firstgroupname == nullptr)
           error->all(FLERR, "Invalid include keyword: atom_modify first command must be used");
@@ -2628,10 +2628,10 @@ void Neighbor::modify_params(int narg, char **arg)
         error->all(FLERR, "Neigh_modify include group != atom_modify first group: {}", atom->firstgroupname);
       iarg += 2;
     } else if (strcmp(arg[iarg],"exclude") == 0) {
-      if (iarg+2 > narg) error->all(FLERR, "Invalid exclude keyword: loss exclude arguments");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "neigh_modify exclude", error);
 
       if (strcmp(arg[iarg+1],"type") == 0) {
-        if (iarg+4 > narg) error->all(FLERR, "Invalid exclude type keyword: expected 2 type arguments");
+        if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "neigh_modify exclude type", error);
         if (nex_type == maxex_type) {
           maxex_type += EXDELTA;
           memory->grow(ex1_type,maxex_type,"neigh:ex1_type");
@@ -2642,7 +2642,7 @@ void Neighbor::modify_params(int narg, char **arg)
         nex_type++;
         iarg += 4;
       } else if (strcmp(arg[iarg+1],"group") == 0) {
-        if (iarg+4 > narg) error->all(FLERR, "Invalid exclude group keyword: expected 2 group arguments");
+        if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "neigh_modify exclude group", error);
         if (nex_group == maxex_group) {
           maxex_group += EXDELTA;
           memory->grow(ex1_group,maxex_group,"neigh:ex1_group");
@@ -2658,7 +2658,7 @@ void Neighbor::modify_params(int narg, char **arg)
         iarg += 4;
       } else if (strcmp(arg[iarg+1],"molecule/inter") == 0 ||
                  strcmp(arg[iarg+1],"molecule/intra") == 0) {
-        if (iarg+3 > narg) error->all(FLERR, "Invalid exclude molecule keyword: expected 1 molecule argument");
+        if (iarg+3 > narg) utils::missing_cmd_args(FLERR, "neigh_modify exclude molecule", error);
         if (atom->molecule_flag == 0)
           error->all(FLERR,"Neigh_modify exclude molecule "
                      "requires atom attribute molecule");
@@ -2682,13 +2682,13 @@ void Neighbor::modify_params(int narg, char **arg)
       } else if (strcmp(arg[iarg+1],"none") == 0) {
         nex_type = nex_group = nex_mol = 0;
         iarg += 2;
-      } else error->all(FLERR,"Invalid exclude keyword: {} argument doesn't exist", arg[iarg+1]);
+      } else error->all(FLERR,"Unknown neigh_modify exclude keyword: {}", arg[iarg+1]);
     } else if (strcmp(arg[iarg],"collection/interval") == 0) {
       if (style != Neighbor::MULTI)
         error->all(FLERR,"Cannot use collection/interval command without multi setting");
 
       if (iarg+2 > narg)
-        error->all(FLERR, "Invalid collection/interval keyword: number of custom collections isn't set");
+        utils::missing_cmd_args(FLERR, "neigh_modify collection/interval", error);
       ncollections = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
       if (ncollections < 1)
         error->all(FLERR, "Invalid collection/interval keyword: illegal number of custom collections: {}", ncollections);
@@ -2722,7 +2722,7 @@ void Neighbor::modify_params(int narg, char **arg)
         error->all(FLERR,"Cannot use collection/type command without multi setting");
 
       if (iarg+2 > narg)
-        error->all(FLERR, "Invalid collection/type keyword: number of custom collections isn't set");
+        utils::missing_cmd_args(FLERR, "neigh_modify collection/type", error);
       ncollections = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
       if (ncollections < 1)
         error->all(FLERR, "Invalid collection/type keyword: illegal number of custom collections: {}", ncollections);
@@ -2768,7 +2768,7 @@ void Neighbor::modify_params(int narg, char **arg)
       }
 
       iarg += 2 + ncollections;
-    } else error->all(FLERR,"Illegal neigh_modify command: {} keyword doesn't exist", arg[iarg]);
+    } else error->all(FLERR,"Unknown neigh_modify keyword: {}", arg[iarg]);
   }
 }
 
@@ -2948,4 +2948,4 @@ double Neighbor::memory_usage()
   if (neigh_improper) bytes += neigh_improper->memory_usage();
 
   return bytes;
-}
\ No newline at end of file
+}

From d599a541b56091aa79e8af317106c1a3210028ab Mon Sep 17 00:00:00 2001
From: Jiancheng Chen <2742581175@qq.com>
Date: Sat, 13 Aug 2022 19:10:57 +0800
Subject: [PATCH 6/9] improved some error messages in velocity.cpp and dump.cpp

---
 src/dump.cpp     | 62 ++++++++++++++++++++++++------------------------
 src/velocity.cpp | 38 ++++++++++++++---------------
 2 files changed, 50 insertions(+), 50 deletions(-)

diff --git a/src/dump.cpp b/src/dump.cpp
index 9a8bac052a..b0d1cc1408 100644
--- a/src/dump.cpp
+++ b/src/dump.cpp
@@ -1035,31 +1035,31 @@ void Dump::balance()
 
 void Dump::modify_params(int narg, char **arg)
 {
-  if (narg == 0) error->all(FLERR,"Illegal dump_modify command");
+  if (narg == 0) utils::missing_cmd_args(FLERR, "dump_modify", error);
 
   int iarg = 0;
   while (iarg < narg) {
     if (strcmp(arg[iarg],"append") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify append", error);
       append_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"buffer") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify buffer", error);
       buffer_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       if (buffer_flag && buffer_allow == 0)
         error->all(FLERR,"Dump_modify buffer yes not allowed for this style");
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"delay") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify delay", error);
       delaystep = utils::bnumeric(FLERR,arg[iarg+1],false,lmp);
       if (delaystep >= 0) delay_flag = 1;
       else delay_flag = 0;
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"every") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify every", error);
       int idump;
       for (idump = 0; idump < output->ndump; idump++)
         if (strcmp(id,output->dump[idump]->id) == 0) break;
@@ -1070,14 +1070,14 @@ void Dump::modify_params(int narg, char **arg)
         n = 0;
       } else {
         n = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-        if (n <= 0) error->all(FLERR,"Illegal dump_modify command");
+        if (n <= 0) error->all(FLERR, "Invalid dump_modify every argument: {}", n);
       }
       output->mode_dump[idump] = 0;
       output->every_dump[idump] = n;
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"every/time") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify every/time", error);
       int idump;
       for (idump = 0; idump < output->ndump; idump++)
         if (strcmp(id,output->dump[idump]->id) == 0) break;
@@ -1088,7 +1088,7 @@ void Dump::modify_params(int narg, char **arg)
         delta = 0.0;
       } else {
         delta = utils::numeric(FLERR,arg[iarg+1],false,lmp);
-        if (delta <= 0.0) error->all(FLERR,"Illegal dump_modify command");
+        if (delta <= 0.0) error->all(FLERR, "Invalid dump_modify every/time argument: {}", delta);
       }
       output->mode_dump[idump] = 1;
       output->every_time_dump[idump] = delta;
@@ -1096,11 +1096,11 @@ void Dump::modify_params(int narg, char **arg)
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"fileper") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify fileper", error);
       if (!multiproc)
         error->all(FLERR,"Cannot use dump_modify fileper without % in dump file name");
       int nper = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      if (nper <= 0) error->all(FLERR,"Illegal dump_modify command");
+      if (nper <= 0) error->all(FLERR, "Invalid dump_modify fileper argument: {}", nper);
 
       multiproc = nprocs/nper;
       if (nprocs % nper) multiproc++;
@@ -1122,22 +1122,22 @@ void Dump::modify_params(int narg, char **arg)
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"first") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify first", error);
       first_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"flush") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify flush", error);
       flush_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"colname") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify colname", error);
       if (strcmp(arg[iarg+1],"default") == 0) {
         for (auto item : keyword_user) item.clear();
         iarg += 2;
       } else {
-        if (iarg+3 > narg) error->all(FLERR,"Illegal dump_modify command");
+        if (iarg+3 > narg) utils::missing_cmd_args(FLERR, "dump_modify colname", error);
         int icol = -1;
         if (utils::is_integer(arg[iarg + 1])) {
           icol = utils::inumeric(FLERR,arg[iarg + 1],false,lmp);
@@ -1157,7 +1157,7 @@ void Dump::modify_params(int narg, char **arg)
         iarg += 3;
       }
     } else if (strcmp(arg[iarg],"format") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify format", error);
 
       if (strcmp(arg[iarg+1],"none") == 0) {
         delete[] format_line_user;
@@ -1175,7 +1175,7 @@ void Dump::modify_params(int narg, char **arg)
         continue;
       }
 
-      if (iarg+3 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+3 > narg) utils::missing_cmd_args(FLERR, "dump_modify format", error);
 
       if (strcmp(arg[iarg+1],"line") == 0) {
         delete[] format_line_user;
@@ -1183,17 +1183,17 @@ void Dump::modify_params(int narg, char **arg)
         iarg += 3;
       } else {   // pass other format options to child classes
         int n = modify_param(narg-iarg,&arg[iarg]);
-        if (n == 0) error->all(FLERR,"Illegal dump_modify command");
+        if (n == 0) utils::missing_cmd_args(FLERR, "dump_modify", error);
         iarg += n;
       }
 
     } else if (strcmp(arg[iarg],"header") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify header", error);
       write_header_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"maxfiles") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify maxfiles", error);
       if (!multifile)
         error->all(FLERR,"Cannot use dump_modify maxfiles without * in dump file name");
       // wipe out existing storage
@@ -1203,7 +1203,7 @@ void Dump::modify_params(int narg, char **arg)
         delete[] nameslist;
       }
       maxfiles = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      if (maxfiles == 0) error->all(FLERR,"Illegal dump_modify command");
+      if (maxfiles == 0) error->all(FLERR, "Invalid dump_modify maxfiles argument: {}", maxfiles);
       if (maxfiles > 0) {
         nameslist = new char*[maxfiles];
         numfiles = 0;
@@ -1213,11 +1213,11 @@ void Dump::modify_params(int narg, char **arg)
       }
       iarg += 2;
     } else if (strcmp(arg[iarg],"nfile") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify nfile", error);
       if (!multiproc)
         error->all(FLERR,"Cannot use dump_modify nfile without % in dump file name");
       int nfile = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      if (nfile <= 0) error->all(FLERR,"Illegal dump_modify command");
+      if (nfile <= 0) error->all(FLERR, "Invalid dump_modify nfile argument: {}", nfile);
       nfile = MIN(nfile,nprocs);
 
       multiproc = nfile;
@@ -1244,18 +1244,18 @@ void Dump::modify_params(int narg, char **arg)
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"pad") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify pad", error);
       padflag = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      if (padflag < 0) error->all(FLERR,"Illegal dump_modify command");
+      if (padflag < 0) error->all(FLERR, "Invalid dump_modify pad argument: {}", padflag);
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"pbc") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify pbc", error);
       pbcflag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"sort") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify sort", error);
       if (strcmp(arg[iarg+1],"off") == 0) sort_flag = 0;
       else if (strcmp(arg[iarg+1],"id") == 0) {
         sort_flag = 1;
@@ -1265,7 +1265,7 @@ void Dump::modify_params(int narg, char **arg)
         sort_flag = 1;
         sortcol = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
         sortorder = ASCEND;
-        if (sortcol == 0) error->all(FLERR,"Illegal dump_modify command");
+        if (sortcol == 0) error->all(FLERR, "Invalid dump_modify sort argument: {}", sortcol);
         if (sortcol < 0) {
           sortorder = DESCEND;
           sortcol = -sortcol;
@@ -1275,24 +1275,24 @@ void Dump::modify_params(int narg, char **arg)
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"balance") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify blance", error);
       if (nprocs > 1)
         balance_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"time") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify time", error);
       time_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"units") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "dump_modify units", error);
       unit_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
 
     } else {
       int n = modify_param(narg-iarg,&arg[iarg]);
-      if (n == 0) error->all(FLERR,"Illegal dump_modify command");
+      if (n == 0) utils::missing_cmd_args(FLERR, "dump_modify", error);
       iarg += n;
     }
   }
diff --git a/src/velocity.cpp b/src/velocity.cpp
index 34b8d5a700..e11317dd09 100644
--- a/src/velocity.cpp
+++ b/src/velocity.cpp
@@ -49,7 +49,7 @@ Velocity::Velocity(LAMMPS *lmp) : Command(lmp), rigid_fix(nullptr), temperature(
 
 void Velocity::command(int narg, char **arg)
 {
-  if (narg < 2) error->all(FLERR,"Illegal velocity command");
+  if (narg < 2) utils::missing_cmd_args(FLERR, "velocity", error);
 
   if (domain->box_exist == 0)
     error->all(FLERR,"Velocity command before simulation box is defined");
@@ -63,7 +63,7 @@ void Velocity::command(int narg, char **arg)
   // identify group
 
   igroup = group->find(arg[0]);
-  if (igroup == -1) error->all(FLERR,"Could not find velocity group ID");
+  if (igroup == -1) error->all(FLERR, "Could not find velocity group ID {}", arg[0]);
   groupbit = group->bitmask[igroup];
 
   // check if velocities of atoms in rigid bodies are updated
@@ -79,7 +79,7 @@ void Velocity::command(int narg, char **arg)
   else if (strcmp(arg[1],"scale") == 0) style = SCALE;
   else if (strcmp(arg[1],"ramp") == 0) style = RAMP;
   else if (strcmp(arg[1],"zero") == 0) style = ZERO;
-  else error->all(FLERR,"Illegal velocity command");
+  else error->all(FLERR,"Unknown velocity keyword: {}", arg[1]);
 
   // set defaults
 
@@ -163,7 +163,7 @@ void Velocity::create(double t_desired, int seed)
   int i;
   double **vhold;
 
-  if (seed <= 0) error->all(FLERR,"Illegal velocity create command");
+  if (seed <= 0) error->all(FLERR, "Illegal velocity create seed argument: {}", seed);
 
   // if sum_flag set, store a copy of current velocities
 
@@ -816,58 +816,58 @@ void Velocity::zero_rotation()
 
 void Velocity::options(int narg, char **arg)
 {
-  if (narg < 0) error->all(FLERR,"Illegal velocity command");
+  if (narg < 0) utils::missing_cmd_args(FLERR, "velocity", error);
 
   int iarg = 0;
   while (iarg < narg) {
     if (strcmp(arg[iarg],"dist") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity dist", error);
       if (strcmp(arg[iarg+1],"uniform") == 0) dist_flag = UNIFORM;
       else if (strcmp(arg[iarg+1],"gaussian") == 0) dist_flag = GAUSSIAN;
-      else error->all(FLERR,"Illegal velocity command");
+      else error->all(FLERR,"Unknown velocity dist argument: {}", arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"sum") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity sum", error);
       sum_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"mom") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity mom", error);
       momentum_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"rot") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity rot", error);
       rotation_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"temp") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity temp", error);
       temperature = modify->get_compute_by_id(arg[iarg+1]);
-      if (!temperature) error->all(FLERR,"Could not find velocity temperature compute ID");
+      if (!temperature) error->all(FLERR,"Could not find velocity temperature compute ID: {}", arg[iarg+1]);
       if (temperature->tempflag == 0)
         error->all(FLERR,"Velocity temperature compute {} does not compute temperature", arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"bias") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity bias", error);
       bias_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"loop") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity loop", error);
       if (strcmp(arg[iarg+1],"all") == 0) loop_flag = ALL;
       else if (strcmp(arg[iarg+1],"local") == 0) loop_flag = LOCAL;
       else if (strcmp(arg[iarg+1],"geom") == 0) loop_flag = GEOM;
-      else error->all(FLERR,"Illegal velocity command");
+      else error->all(FLERR,"Unknown velocity loop argument: {}", arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"rigid") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity rigid", error);
       rigid_fix = modify->get_fix_by_id(arg[iarg+1]);
       if (!rigid_fix) error->all(FLERR,"Fix ID {} for velocity does not exist", arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"units") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal velocity command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "velocity units", error);
       if (strcmp(arg[iarg+1],"box") == 0) scale_flag = 0;
       else if (strcmp(arg[iarg+1],"lattice") == 0) scale_flag = 1;
-      else error->all(FLERR,"Illegal velocity command");
+      else error->all(FLERR,"Unknown velocity units argument: {}", arg[iarg+1]);
       iarg += 2;
-    } else error->all(FLERR,"Illegal velocity command");
+    } else error->all(FLERR,"Unknown velocity keyword: {}", arg[iarg]);
   }
 
   // error check

From 3292ee8299e11a61f9622f4a3ba4db76f38b4639 Mon Sep 17 00:00:00 2001
From: Jiancheng Chen <2742581175@qq.com>
Date: Sun, 14 Aug 2022 10:21:49 +0800
Subject: [PATCH 7/9] Fixed the last change to modify_params function

---
 src/dump.cpp        |  4 ++--
 src/dump_custom.cpp | 12 ++++++------
 2 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/src/dump.cpp b/src/dump.cpp
index b0d1cc1408..c4b4cc02e9 100644
--- a/src/dump.cpp
+++ b/src/dump.cpp
@@ -1183,7 +1183,7 @@ void Dump::modify_params(int narg, char **arg)
         iarg += 3;
       } else {   // pass other format options to child classes
         int n = modify_param(narg-iarg,&arg[iarg]);
-        if (n == 0) utils::missing_cmd_args(FLERR, "dump_modify", error);
+        if (n == 0) error->all(FLERR,"Unknown dump_modify format keyword: {}", arg[iarg+1]);
         iarg += n;
       }
 
@@ -1292,7 +1292,7 @@ void Dump::modify_params(int narg, char **arg)
 
     } else {
       int n = modify_param(narg-iarg,&arg[iarg]);
-      if (n == 0) utils::missing_cmd_args(FLERR, "dump_modify", error);
+      if (n == 0) error->all(FLERR,"Unknown dump_modify keyword: {}", arg[iarg]);
       iarg += n;
     }
   }
diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp
index 9389839aca..c93e83e491 100644
--- a/src/dump_custom.cpp
+++ b/src/dump_custom.cpp
@@ -1673,7 +1673,7 @@ int DumpCustom::modify_param(int narg, char **arg)
   }
 
   if (strcmp(arg[0],"format") == 0) {
-    if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
+    if (narg < 2) utils::missing_cmd_args(FLERR, "dump_modify format", error);
 
     if (strcmp(arg[1],"none") == 0) {
       // just clear format_column_user allocated by this dump child class
@@ -1684,7 +1684,7 @@ int DumpCustom::modify_param(int narg, char **arg)
       return 2;
     }
 
-    if (narg < 3) error->all(FLERR,"Illegal dump_modify command");
+    if (narg < 3) utils::missing_cmd_args(FLERR, "dump_modify format", error);
 
     if (strcmp(arg[1],"int") == 0) {
       delete[] format_int_user;
@@ -1710,7 +1710,7 @@ int DumpCustom::modify_param(int narg, char **arg)
     } else {
       int i = utils::inumeric(FLERR,arg[1],false,lmp) - 1;
       if (i < 0 || i >= nfield)
-        error->all(FLERR,"Illegal dump_modify command");
+        error->all(FLERR,"Unknown dump_modify format ID keyword: {}", arg[1]);
       delete[] format_column_user[i];
       format_column_user[i] = utils::strdup(arg[2]);
     }
@@ -1731,7 +1731,7 @@ int DumpCustom::modify_param(int narg, char **arg)
   }
 
   if (strcmp(arg[0],"refresh") == 0) {
-    if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
+    if (narg < 2) utils::missing_cmd_args(FLERR, "dump_modify refresh", error);
     ArgInfo argi(arg[1],ArgInfo::COMPUTE);
     if ((argi.get_type() != ArgInfo::COMPUTE) || (argi.get_dim() != 0))
       error->all(FLERR,"Illegal dump_modify command");
@@ -1743,7 +1743,7 @@ int DumpCustom::modify_param(int narg, char **arg)
   }
 
   if (strcmp(arg[0],"thresh") == 0) {
-    if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
+    if (narg < 2) utils::missing_cmd_args(FLERR, "dump_modify thresh", error);
     if (strcmp(arg[1],"none") == 0) {
       if (nthresh) {
         memory->destroy(thresh_array);
@@ -1765,7 +1765,7 @@ int DumpCustom::modify_param(int narg, char **arg)
       return 2;
     }
 
-    if (narg < 4) error->all(FLERR,"Illegal dump_modify command");
+    if (narg < 4) utils::missing_cmd_args(FLERR, "dump_modify thresh", error);
 
     // grow threshold arrays
 

From 89f32e43dc0d6ef95acf61259210e910942473e3 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 13 Aug 2022 23:02:04 -0400
Subject: [PATCH 8/9] update unit test for changed error message

---
 unittest/formats/test_dump_atom.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/unittest/formats/test_dump_atom.cpp b/unittest/formats/test_dump_atom.cpp
index 702325f2fb..762a01e648 100644
--- a/unittest/formats/test_dump_atom.cpp
+++ b/unittest/formats/test_dump_atom.cpp
@@ -624,7 +624,7 @@ TEST_F(DumpAtomTest, dump_modify_invalid)
     command("dump id all atom 1 dump.txt");
     END_HIDE_OUTPUT();
 
-    TEST_FAILURE(".*Illegal dump_modify command.*", command("dump_modify id true"););
+    TEST_FAILURE(".*Unknown dump_modify keyword: true.*", command("dump_modify id true"););
 }
 
 TEST_F(DumpAtomTest, write_dump)

From d047053473ab6671367c8e8bb36e82e72dd0517c Mon Sep 17 00:00:00 2001
From: Jiancheng Chen <2742581175@qq.com>
Date: Mon, 15 Aug 2022 10:51:29 +0800
Subject: [PATCH 9/9] improved some error messages in compute_msd,fix_indent
 and fix_nh.cpp

---
 src/compute_msd.cpp |  9 +++---
 src/fix_indent.cpp  | 26 ++++++++--------
 src/fix_nh.cpp      | 72 ++++++++++++++++++++++-----------------------
 3 files changed, 53 insertions(+), 54 deletions(-)

diff --git a/src/compute_msd.cpp b/src/compute_msd.cpp
index 7ecb89b4c0..90d8f47b7a 100644
--- a/src/compute_msd.cpp
+++ b/src/compute_msd.cpp
@@ -27,8 +27,7 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-ComputeMSD::ComputeMSD(LAMMPS *lmp, int narg, char **arg)
-  : Compute(lmp, narg, arg), id_fix(nullptr)
+ComputeMSD::ComputeMSD(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg), id_fix(nullptr)
 {
   if (narg < 3) error->all(FLERR, "Illegal compute msd command");
 
@@ -46,15 +45,15 @@ ComputeMSD::ComputeMSD(LAMMPS *lmp, int narg, char **arg)
   int iarg = 3;
   while (iarg < narg) {
     if (strcmp(arg[iarg], "com") == 0) {
-      if (iarg + 2 > narg) error->all(FLERR, "Illegal compute msd command");
+      if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "compute msd com", error);
       comflag = utils::logical(FLERR, arg[iarg + 1], false, lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg], "average") == 0) {
-      if (iarg + 2 > narg) error->all(FLERR, "Illegal compute msd command");
+      if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "compute msd average", error);
       avflag = utils::logical(FLERR, arg[iarg + 1], false, lmp);
       iarg += 2;
     } else
-      error->all(FLERR, "Illegal compute msd command");
+      error->all(FLERR, "Unknown compute msd keyword: {}", arg[iarg]);
   }
 
   if (group->dynamic[igroup])
diff --git a/src/fix_indent.cpp b/src/fix_indent.cpp
index 3f99d14a8c..766ec88d8e 100644
--- a/src/fix_indent.cpp
+++ b/src/fix_indent.cpp
@@ -43,7 +43,7 @@ FixIndent::FixIndent(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg),
   xstr(nullptr), ystr(nullptr), zstr(nullptr), rstr(nullptr), pstr(nullptr)
 {
-  if (narg < 4) error->all(FLERR,"Illegal fix indent command");
+  if (narg < 4) utils::missing_cmd_args(FLERR, "fix indent", error);
 
   scalar_flag = 1;
   vector_flag = 1;
@@ -405,7 +405,7 @@ double FixIndent::compute_vector(int n)
 
 void FixIndent::options(int narg, char **arg)
 {
-  if (narg < 0) error->all(FLERR,"Illegal fix indent command");
+  if (narg < 0) utils::missing_cmd_args(FLERR, "fix indent", error);
 
   istyle = NONE;
   xstr = ystr = zstr = rstr = pstr = nullptr;
@@ -416,7 +416,7 @@ void FixIndent::options(int narg, char **arg)
   int iarg = 0;
   while (iarg < narg) {
     if (strcmp(arg[iarg],"sphere") == 0) {
-      if (iarg+5 > narg) error->all(FLERR,"Illegal fix indent command");
+      if (iarg+5 > narg) utils::missing_cmd_args(FLERR, "fix indent sphere", error);
 
       if (utils::strmatch(arg[iarg+1],"^v_")) {
         xstr = utils::strdup(arg[iarg+1]+2);
@@ -435,7 +435,7 @@ void FixIndent::options(int narg, char **arg)
       iarg += 5;
 
     } else if (strcmp(arg[iarg],"cylinder") == 0) {
-      if (iarg+5 > narg) error->all(FLERR,"Illegal fix indent command");
+      if (iarg+5 > narg) utils::missing_cmd_args(FLERR, "fix indent cylinder", error);
 
       if (strcmp(arg[iarg+1],"x") == 0) {
         cdim = 0;
@@ -461,7 +461,7 @@ void FixIndent::options(int narg, char **arg)
         if (utils::strmatch(arg[iarg+3],"^v_")) {
           ystr = utils::strdup(arg[iarg+3]+2);
         } else yvalue = utils::numeric(FLERR,arg[iarg+3],false,lmp);
-      } else error->all(FLERR,"Illegal fix indent command");
+      } else error->all(FLERR,"Unknown fix indent cylinder argument: {}", arg[iarg+1]);
 
       if (utils::strmatch(arg[iarg+4],"^v_")) {
         rstr = utils::strdup(arg[iarg+4]+2);
@@ -471,11 +471,11 @@ void FixIndent::options(int narg, char **arg)
       iarg += 5;
 
     } else if (strcmp(arg[iarg],"plane") == 0) {
-      if (iarg+4 > narg) error->all(FLERR,"Illegal fix indent command");
+      if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix indent plane", error);
       if (strcmp(arg[iarg+1],"x") == 0) cdim = 0;
       else if (strcmp(arg[iarg+1],"y") == 0) cdim = 1;
       else if (strcmp(arg[iarg+1],"z") == 0) cdim = 2;
-      else error->all(FLERR,"Illegal fix indent command");
+      else error->all(FLERR,"Unknown fix indent plane argument: {}", arg[iarg+1]);
 
       if (utils::strmatch(arg[iarg+2],"^v_")) {
         pstr = utils::strdup(arg[iarg+2]+2);
@@ -483,23 +483,23 @@ void FixIndent::options(int narg, char **arg)
 
       if (strcmp(arg[iarg+3],"lo") == 0) planeside = -1;
       else if (strcmp(arg[iarg+3],"hi") == 0) planeside = 1;
-      else error->all(FLERR,"Illegal fix indent command");
+      else error->all(FLERR,"Unknown fix indent plane argument: {}", arg[iarg+3]);
       istyle = PLANE;
       iarg += 4;
 
     } else if (strcmp(arg[iarg],"units") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix indent command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix indent units", error);
       if (strcmp(arg[iarg+1],"box") == 0) scaleflag = 0;
       else if (strcmp(arg[iarg+1],"lattice") == 0) scaleflag = 1;
-      else error->all(FLERR,"Illegal fix indent command");
+      else error->all(FLERR,"Unknown fix indent units argument: {}", arg[iarg+1]);
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"side") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix indent command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix indent side", error);
       if (strcmp(arg[iarg+1],"in") == 0) side = INSIDE;
       else if (strcmp(arg[iarg+1],"out") == 0) side = OUTSIDE;
-      else error->all(FLERR,"Illegal fix indent command");
+      else error->all(FLERR,"Unknown fix indent side argument: {}", arg[iarg+1]);
       iarg += 2;
-    } else error->all(FLERR,"Illegal fix indent command");
+    } else error->all(FLERR,"Unknown fix indent argument: {}", arg[iarg]);
   }
 }
diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp
index cb0408a50c..89fbf2ef45 100644
--- a/src/fix_nh.cpp
+++ b/src/fix_nh.cpp
@@ -60,7 +60,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
   eta_mass(nullptr), etap(nullptr), etap_dot(nullptr), etap_dotdot(nullptr),
   etap_mass(nullptr)
 {
-  if (narg < 4) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+  if (narg < 4) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph", error);
 
   restart_global = 1;
   dynamic_group_allow = 1;
@@ -130,7 +130,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
 
   while (iarg < narg) {
     if (strcmp(arg[iarg],"temp") == 0) {
-      if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph temp", error);
       tstat_flag = 1;
       t_start = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       t_target = t_start;
@@ -142,7 +142,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
       iarg += 4;
 
     } else if (strcmp(arg[iarg],"iso") == 0) {
-      if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph iso", error);
       pcouple = XYZ;
       p_start[0] = p_start[1] = p_start[2] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       p_stop[0] = p_stop[1] = p_stop[2] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
@@ -155,7 +155,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
       }
       iarg += 4;
     } else if (strcmp(arg[iarg],"aniso") == 0) {
-      if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph aniso", error);
       pcouple = NONE;
       p_start[0] = p_start[1] = p_start[2] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       p_stop[0] = p_stop[1] = p_stop[2] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
@@ -168,7 +168,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
       }
       iarg += 4;
     } else if (strcmp(arg[iarg],"tri") == 0) {
-      if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph tri", error);
       pcouple = NONE;
       scalexy = scalexz = scaleyz = 0;
       p_start[0] = p_start[1] = p_start[2] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
@@ -191,7 +191,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
       }
       iarg += 4;
     } else if (strcmp(arg[iarg],"x") == 0) {
-      if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph x", error);
       p_start[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       p_stop[0] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
       p_period[0] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
@@ -199,7 +199,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
       deviatoric_flag = 1;
       iarg += 4;
     } else if (strcmp(arg[iarg],"y") == 0) {
-      if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph y", error);
       p_start[1] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       p_stop[1] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
       p_period[1] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
@@ -207,7 +207,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
       deviatoric_flag = 1;
       iarg += 4;
     } else if (strcmp(arg[iarg],"z") == 0) {
-      if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph z", error);
       p_start[2] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       p_stop[2] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
       p_period[2] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
@@ -218,7 +218,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
         error->all(FLERR,"Invalid fix nvt/npt/nph command for a 2d simulation");
 
     } else if (strcmp(arg[iarg],"yz") == 0) {
-      if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph yz", error);
       p_start[3] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       p_stop[3] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
       p_period[3] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
@@ -229,7 +229,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
       if (dimension == 2)
         error->all(FLERR,"Invalid fix nvt/npt/nph command for a 2d simulation");
     } else if (strcmp(arg[iarg],"xz") == 0) {
-      if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph xz", error);
       p_start[4] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       p_stop[4] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
       p_period[4] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
@@ -240,7 +240,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
       if (dimension == 2)
         error->all(FLERR,"Invalid fix nvt/npt/nph command for a 2d simulation");
     } else if (strcmp(arg[iarg],"xy") == 0) {
-      if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph xy", error);
       p_start[5] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       p_stop[5] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
       p_period[5] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
@@ -250,7 +250,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
       iarg += 4;
 
     } else if (strcmp(arg[iarg],"couple") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph couple", error);
       if (strcmp(arg[iarg+1],"xyz") == 0) pcouple = XYZ;
       else if (strcmp(arg[iarg+1],"xy") == 0) pcouple = XY;
       else if (strcmp(arg[iarg+1],"yz") == 0) pcouple = YZ;
@@ -260,18 +260,18 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"drag") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph drag", error);
       drag = utils::numeric(FLERR,arg[iarg+1],false,lmp);
-      if (drag < 0.0) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (drag < 0.0) error->all(FLERR, "Invalid fix nvt/npt/nph drag argument: {}", drag);
       iarg += 2;
     } else if (strcmp(arg[iarg],"ptemp") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph ptemp", error);
       p_temp = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       p_temp_flag = 1;
-      if (p_temp <= 0.0) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (p_temp <= 0.0) error->all(FLERR, "Invalid fix nvt/npt/nph ptemp argument: {}", p_temp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"dilate") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph dilate", error);
       if (strcmp(arg[iarg+1],"all") == 0) allremap = 1;
       else {
         allremap = 0;
@@ -284,62 +284,62 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"tchain") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph tchain", error);
       mtchain = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
       // used by FixNVTSllod to preserve non-default value
       mtchain_default_flag = 0;
-      if (mtchain < 1) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (mtchain < 1) error->all(FLERR, "Invalid fix nvt/npt/nph tchain argument: {}", mtchain);
       iarg += 2;
     } else if (strcmp(arg[iarg],"pchain") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph pchain", error);
       mpchain = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      if (mpchain < 0) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (mpchain < 0) error->all(FLERR, "Invalid fix nvt/npt/nph pchain argument: {}", mpchain);
       iarg += 2;
     } else if (strcmp(arg[iarg],"mtk") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph mtk", error);
       mtk_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"tloop") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph tloop", error);
       nc_tchain = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      if (nc_tchain < 0) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (nc_tchain < 0) error->all(FLERR, "Invalid fix nvt/npt/nph tloop argument: {}", nc_tchain);
       iarg += 2;
     } else if (strcmp(arg[iarg],"ploop") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph ploop", error);
       nc_pchain = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      if (nc_pchain < 0) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (nc_pchain < 0) error->all(FLERR, "Invalid fix nvt/npt/nph ploop argument: {}", nc_pchain);
       iarg += 2;
     } else if (strcmp(arg[iarg],"nreset") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph nreset", error);
       nreset_h0 = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
-      if (nreset_h0 < 0) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (nreset_h0 < 0) error->all(FLERR, "Invalid fix nvt/npt/nph nreset argument: {}", nreset_h0);
       iarg += 2;
     } else if (strcmp(arg[iarg],"scalexy") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph scalexy", error);
       scalexy = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"scalexz") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph scalexz", error);
       scalexz = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"scaleyz") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph scaleyz", error);
       scaleyz = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"flip") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph flip", error);
       flipflag = utils::logical(FLERR,arg[iarg+1],false,lmp);
       iarg += 2;
     } else if (strcmp(arg[iarg],"update") == 0) {
-      if (iarg+2 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph update", error);
       if (strcmp(arg[iarg+1],"dipole") == 0) dipole_flag = 1;
       else if (strcmp(arg[iarg+1],"dipole/dlm") == 0) {
         dipole_flag = 1;
         dlm_flag = 1;
-      } else error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      } else error->all(FLERR, "Invalid fix nvt/npt/nph update argument: {}", arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"fixedpoint") == 0) {
-      if (iarg+4 > narg) error->all(FLERR,"Illegal fix nvt/npt/nph command");
+      if (iarg+4 > narg) utils::missing_cmd_args(FLERR, "fix nvt/npt/nph fixedpoint", error);
       fixedpoint[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
       fixedpoint[1] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
       fixedpoint[2] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
@@ -359,7 +359,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
     } else if (strcmp(arg[iarg],"ext") == 0) {
       iarg += 2;
 
-    } else error->all(FLERR,"Illegal fix nvt/npt/nph command");
+    } else error->all(FLERR,"Unknown fix nvt/npt/nph keyword: {}", arg[iarg]);
   }
 
   // error checks