Specify particle precision (#3065)

* Add precision to printed PIC parameters

* Added WarpX_PARTICLE_PRECISION as a build option

* Update types to ParticleReal

* Updated libwarpx to inject particles with correct ParticleReal type

* Fix syntax error

* Add logic to avoid duplicate definitions

* Use correct ParticleReal type in add_particles

* Cleaned up code, addressed comments

* Update Python/pywarpx/_libwarpx.py

Co-authored-by: Peter Scherpelz <31747262+peterscherpelz@users.noreply.github.com>

* Removed redundant functions, fixed some typing

* Modified template functions

* Cast d_w to Real

* Fixed failing tests

* Cast types to be consistent

* removed in-tree-build from pip command

* Added GPU device macros to PDim3 methods

* rerun tests

* Removed unecessary casting, update calls to use PDim3 instead of XDim3

* Refactored comments

* Added mcc fields double precision, particles single precision test

* Updated casting and formatting

* Removed cast, updated declaration

Co-authored-by: Peter Scherpelz <peter.scherpelz@modernelectron.com>
Co-authored-by: Peter Scherpelz <31747262+peterscherpelz@users.noreply.github.com>

1 files changed, 27 insertions, 13 deletions

diff --git a/Python/pywarpx/_libwarpx.py b/Python/pywarpx/_libwarpx.py
index 629cecd2a..65a4d3cd5 100755
--- a/Python/pywarpx/_libwarpx.py
+++ b/Python/pywarpx/_libwarpx.py
@@ -133,19 +133,22 @@ class LibWarpX():
 
         if _ParticleReal_size == 8:
             c_particlereal = ctypes.c_double
-            _numpy_particlereal_dtype = 'f8'
+            self._numpy_particlereal_dtype = 'f8'
         else:
             c_particlereal = ctypes.c_float
-            _numpy_particlereal_dtype = 'f4'
+            self._numpy_particlereal_dtype = 'f4'
 
         self.dim = self.libwarpx_so.warpx_SpaceDim()
 
         # our particle data type, depends on _ParticleReal_size
-        _p_struct = [(d, _numpy_particlereal_dtype) for d in 'xyz'[:self.dim]] + [('id', 'i4'), ('cpu', 'i4')]
+        _p_struct = (
+            [(d, self._numpy_particlereal_dtype) for d in 'xyz'[:self.dim]]
+            + [('id', 'i4'), ('cpu', 'i4')]
+        )
         self._p_dtype = np.dtype(_p_struct, align=True)
 
         _numpy_to_ctypes = {}
-        _numpy_to_ctypes[_numpy_particlereal_dtype] = c_particlereal
+        _numpy_to_ctypes[self._numpy_particlereal_dtype] = c_particlereal
         _numpy_to_ctypes['i4'] = ctypes.c_int
 
         class Particle(ctypes.Structure):
@@ -594,32 +597,43 @@ class LibWarpX():
         # --- Broadcast scalars into appropriate length arrays
         # --- If the parameter was not supplied, use the default value
         if lenx == 1:
-            x = np.full(maxlen, (x or 0.), float)
+            x = np.full(maxlen, (x or 0.), self._numpy_particlereal_dtype)
         if leny == 1:
-            y = np.full(maxlen, (y or 0.), float)
+            y = np.full(maxlen, (y or 0.), self._numpy_particlereal_dtype)
         if lenz == 1:
-            z = np.full(maxlen, (z or 0.), float)
+            z = np.full(maxlen, (z or 0.), self._numpy_particlereal_dtype)
         if lenux == 1:
-            ux = np.full(maxlen, (ux or 0.), float)
+            ux = np.full(maxlen, (ux or 0.), self._numpy_particlereal_dtype)
         if lenuy == 1:
-            uy = np.full(maxlen, (uy or 0.), float)
+            uy = np.full(maxlen, (uy or 0.), self._numpy_particlereal_dtype)
         if lenuz == 1:
-            uz = np.full(maxlen, (uz or 0.), float)
+            uz = np.full(maxlen, (uz or 0.), self._numpy_particlereal_dtype)
         if lenw == 1:
-            w = np.full(maxlen, (w or 0.), float)
+            w = np.full(maxlen, (w or 0.), self._numpy_particlereal_dtype)
         for key, val in kwargs.items():
             if np.size(val) == 1:
-                kwargs[key] = np.full(maxlen, val, float)
+                kwargs[key] = np.full(
+                    maxlen, val, self._numpy_particlereal_dtype
+                )
 
         # --- The -3 is because the comps include the velocites
         nattr = self.get_nattr_species(species_name) - 3
-        attr = np.zeros((maxlen, nattr))
+        attr = np.zeros((maxlen, nattr), self._numpy_particlereal_dtype)
         attr[:,0] = w
 
         for key, vals in kwargs.items():
             # --- The -3 is because components 1 to 3 are velocities
             attr[:,self.get_particle_comp_index(species_name, key)-3] = vals
 
+        # Iff x/y/z/ux/uy/uz are not numpy arrays of the correct dtype, new
+        # array copies are made with the correct dtype
+        x = x.astype(self._numpy_particlereal_dtype, copy=False)
+        y = y.astype(self._numpy_particlereal_dtype, copy=False)
+        z = z.astype(self._numpy_particlereal_dtype, copy=False)
+        ux = ux.astype(self._numpy_particlereal_dtype, copy=False)
+        uy = uy.astype(self._numpy_particlereal_dtype, copy=False)
+        uz = uz.astype(self._numpy_particlereal_dtype, copy=False)
+
         self.libwarpx_so.warpx_addNParticles(
             ctypes.c_char_p(species_name.encode('utf-8')), x.size,
             x, y, z, ux, uy, uz, nattr, attr, unique_particles