apply clang-format

src/NETCDF/dump_netcdf.h

@@ -29,7 +29,9 @@ DumpStyle(netcdf,DumpNetCDF);
 #include "dump_custom.h"
 
 namespace LAMMPS_NS {
-namespace NetCDFUnits {enum Quantity : int;} // forward declaration
+namespace NetCDFUnits {
+  enum Quantity : int;
+}    // namespace NetCDFUnits
 
 const int NC_FIELD_NAME_MAX = 100;
 const int DUMP_NC_MAX_DIMS = 100;
@@ -43,11 +45,11 @@ class DumpNetCDF : public DumpCustom {
  private:
   // per-atoms quantities (positions, velocities, etc.)
   struct nc_perat_t {
-    int dims;                        // number of dimensions
+    int dims;                          // number of dimensions
-    int field[DUMP_NC_MAX_DIMS];     // field indices corresponding to the dim.
+    int field[DUMP_NC_MAX_DIMS];       // field indices corresponding to the dim.
-    char name[NC_FIELD_NAME_MAX];    // field name
+    char name[NC_FIELD_NAME_MAX];      // field name
-    int var;                         // NetCDF variable
+    int var;                           // NetCDF variable
-    NetCDFUnits::Quantity quantity;  // type of the quantity
+    NetCDFUnits::Quantity quantity;    // type of the quantity
 
     bool constant;    // is this property per file (not per frame)
     int ndumped;      // number of enties written for this prop.
@@ -64,8 +66,8 @@ class DumpNetCDF : public DumpCustom {
 
   int *thermovar;    // NetCDF variables for thermo output
 
-  int type_nc_real;         // netcdf type to use for real variables: float or double
+  int type_nc_real;    // netcdf type to use for real variables: float or double
-  bool thermo;              // write thermo output to netcdf file
+  bool thermo;         // write thermo output to netcdf file
 
   bigint n_buffer;          // size of buffer
   bigint *int_buffer;       // buffer for passing data to netcdf

src/NETCDF/dump_netcdf_mpiio.h

@@ -29,7 +29,9 @@ DumpStyle(netcdf/mpiio,DumpNetCDFMPIIO);
 #include "dump_custom.h"
 
 namespace LAMMPS_NS {
-namespace NetCDFUnits {enum Quantity : int;} // forward declaration
+namespace NetCDFUnits {
+  enum Quantity : int;
+}    // namespace NetCDFUnits
 
 const int NC_MPIIO_FIELD_NAME_MAX = 100;
 const int DUMP_NC_MPIIO_MAX_DIMS = 100;
@@ -63,8 +65,8 @@ class DumpNetCDFMPIIO : public DumpCustom {
 
   int *thermovar;    // NetCDF variables for thermo output
 
-  int type_nc_real;         // netcdf type to use for real variables: float or double
+  int type_nc_real;    // netcdf type to use for real variables: float or double
-  bool thermo;              // write thermo output to netcdf file
+  bool thermo;         // write thermo output to netcdf file
 
   bigint n_buffer;          // size of buffer
   bigint *int_buffer;       // buffer for passing data to netcdf

src/NETCDF/netcdf_units.cpp

@@ -1,4 +1,3 @@
-// clang-format off
 /* ----------------------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    https://www.lammps.org/, Sandia National Laboratories
@@ -24,7 +23,8 @@
 
 using namespace LAMMPS_NS;
 
-std::string NetCDFUnits::get_unit_for(const char* unit_style, Quantity quantity, Error* error) {
+std::string NetCDFUnits::get_unit_for(const char *unit_style, Quantity quantity, Error *error)
+{
   if (!strcmp(unit_style, "lj")) {
     if (quantity == Quantity::UNKNOWN) {
       return "";
@@ -33,108 +33,108 @@ std::string NetCDFUnits::get_unit_for(const char* unit_style, Quantity quantity,
     }
   } else if (!strcmp(unit_style, "real")) {
     switch (quantity) {
-    case Quantity::UNKNOWN:
+      case Quantity::UNKNOWN:
-      return "";
+        return "";
-    case Quantity::TIME:
+      case Quantity::TIME:
-      return "femtosecond";
+        return "femtosecond";
-    case Quantity::DISTANCE:
+      case Quantity::DISTANCE:
-      return "angstrom";
+        return "angstrom";
-    case Quantity::VELOCITY:
+      case Quantity::VELOCITY:
-      return "angstrom/femtosecond";
+        return "angstrom/femtosecond";
-    case Quantity::FORCE:
+      case Quantity::FORCE:
-      return "(Kcal/mol)/angstrom)";
+        return "(Kcal/mol)/angstrom)";
-    case Quantity::DIPOLE_MOMENT:
+      case Quantity::DIPOLE_MOMENT:
-      return "e * angstrom";
+        return "e * angstrom";
     }
   } else if (!strcmp(unit_style, "metal")) {
     switch (quantity) {
-    case Quantity::UNKNOWN:
+      case Quantity::UNKNOWN:
-      return "";
+        return "";
-    case Quantity::TIME:
+      case Quantity::TIME:
-      return "picosecond";
+        return "picosecond";
-    case Quantity::DISTANCE:
+      case Quantity::DISTANCE:
-      return "angstrom";
+        return "angstrom";
-    case Quantity::VELOCITY:
+      case Quantity::VELOCITY:
-      return "angstrom/picosecond";
+        return "angstrom/picosecond";
-    case Quantity::FORCE:
+      case Quantity::FORCE:
-      return "eV/angstrom";
+        return "eV/angstrom";
-    case Quantity::DIPOLE_MOMENT:
+      case Quantity::DIPOLE_MOMENT:
-      return "e * angstrom";
+        return "e * angstrom";
     }
   } else if (!strcmp(unit_style, "si")) {
     switch (quantity) {
-    case Quantity::UNKNOWN:
+      case Quantity::UNKNOWN:
-      return "";
+        return "";
-    case Quantity::TIME:
+      case Quantity::TIME:
-      return "second";
+        return "second";
-    case Quantity::DISTANCE:
+      case Quantity::DISTANCE:
-      return "meter";
+        return "meter";
-    case Quantity::VELOCITY:
+      case Quantity::VELOCITY:
-      return "meter/second";
+        return "meter/second";
-    case Quantity::FORCE:
+      case Quantity::FORCE:
-      return "Newton";
+        return "Newton";
-    case Quantity::DIPOLE_MOMENT:
+      case Quantity::DIPOLE_MOMENT:
-      return "Coulomb * meter";
+        return "Coulomb * meter";
     }
   } else if (!strcmp(unit_style, "cgs")) {
     switch (quantity) {
-    case Quantity::UNKNOWN:
+      case Quantity::UNKNOWN:
-      return "";
+        return "";
-    case Quantity::TIME:
+      case Quantity::TIME:
-      return "second";
+        return "second";
-    case Quantity::DISTANCE:
+      case Quantity::DISTANCE:
-      return "centimeter";
+        return "centimeter";
-    case Quantity::VELOCITY:
+      case Quantity::VELOCITY:
-      return "centimeter/second";
+        return "centimeter/second";
-    case Quantity::FORCE:
+      case Quantity::FORCE:
-      return "dynes";
+        return "dynes";
-    case Quantity::DIPOLE_MOMENT:
+      case Quantity::DIPOLE_MOMENT:
-      return "statcoul * cm";
+        return "statcoul * cm";
     }
   } else if (!strcmp(unit_style, "electron")) {
     switch (quantity) {
-    case Quantity::UNKNOWN:
+      case Quantity::UNKNOWN:
-      return "";
+        return "";
-    case Quantity::TIME:
+      case Quantity::TIME:
-      return "femtoseconds";
+        return "femtoseconds";
-    case Quantity::DISTANCE:
+      case Quantity::DISTANCE:
-      return "Bohr";
+        return "Bohr";
-    case Quantity::VELOCITY:
+      case Quantity::VELOCITY:
-      return "Bohr/atomic time units";
+        return "Bohr/atomic time units";
-    case Quantity::FORCE:
+      case Quantity::FORCE:
-      return "Hartree/Bohr";
+        return "Hartree/Bohr";
-    case Quantity::DIPOLE_MOMENT:
+      case Quantity::DIPOLE_MOMENT:
-      return "Debye";
+        return "Debye";
     }
   } else if (!strcmp(unit_style, "micro")) {
     switch (quantity) {
-    case Quantity::UNKNOWN:
+      case Quantity::UNKNOWN:
-      return "";
+        return "";
-    case Quantity::TIME:
+      case Quantity::TIME:
-      return "microseconds";
+        return "microseconds";
-    case Quantity::DISTANCE:
+      case Quantity::DISTANCE:
-      return "micrometers";
+        return "micrometers";
-    case Quantity::VELOCITY:
+      case Quantity::VELOCITY:
-      return "micrometers/microsecond";
+        return "micrometers/microsecond";
-    case Quantity::FORCE:
+      case Quantity::FORCE:
-      return "picogram * micrometer/microsecond^2";
+        return "picogram * micrometer/microsecond^2";
-    case Quantity::DIPOLE_MOMENT:
+      case Quantity::DIPOLE_MOMENT:
-      return "picocoulomb * micrometer";
+        return "picocoulomb * micrometer";
     }
   } else if (!strcmp(unit_style, "nano")) {
     switch (quantity) {
-    case Quantity::UNKNOWN:
+      case Quantity::UNKNOWN:
-      return "";
+        return "";
-    case Quantity::TIME:
+      case Quantity::TIME:
-      return "nanoseconds";
+        return "nanoseconds";
-    case Quantity::DISTANCE:
+      case Quantity::DISTANCE:
-      return "nanometers";
+        return "nanometers";
-    case Quantity::VELOCITY:
+      case Quantity::VELOCITY:
-      return "nanometers/nanosecond";
+        return "nanometers/nanosecond";
-    case Quantity::FORCE:
+      case Quantity::FORCE:
-      return "attogram * nanometer/nanosecond^2";
+        return "attogram * nanometer/nanosecond^2";
-    case Quantity::DIPOLE_MOMENT:
+      case Quantity::DIPOLE_MOMENT:
-      return "e * nanometer";
+        return "e * nanometer";
     }
   }
 

src/NETCDF/netcdf_units.h

@@ -26,21 +26,21 @@ namespace LAMMPS_NS {
 class Error;
 
 namespace NetCDFUnits {
-// type of quantity for per-atom values (used to get the unit)
+  // type of quantity for per-atom values (used to get the unit)
-enum Quantity : int {
+  enum Quantity : int {
     UNKNOWN = 0,
     TIME,
     DISTANCE,
     VELOCITY,
     FORCE,
     DIPOLE_MOMENT,
-};
+  };
 
-// get the name of the unit for the given `quantity` in the given LAMMPS
+  // get the name of the unit for the given `quantity` in the given LAMMPS
-// `unit_style` any error will be reported through `error`
+  // `unit_style` any error will be reported through `error`
-std::string get_unit_for(const char* unit_style, Quantity quantity, Error* error);
+  std::string get_unit_for(const char *unit_style, Quantity quantity, Error *error);
-}
+}    // namespace NetCDFUnits
-}
+}    // namespace LAMMPS_NS
 
 #endif
 #endif