Use numpy.ndarray as input of QUDA functions.

Author: SaltyChiang

pyproject.toml

@@ -1,2 +1,2 @@
 [build-system]
-requires = ["setuptools", "wheel", "Cython"]
+requires = ["setuptools", "wheel", "Cython", "numpy"]

pyquda/action/one_flavor_clover.py

@@ -1,6 +1,6 @@
 import numpy
 
-from ..pointer import Pointers, ndarrayPointer
+from ..pointer import Pointers
 from ..pyquda import computeCloverForceQuda, invertMultiShiftQuda, loadCloverQuda
 from ..enum_quda import (
     QUDA_MAX_MULTI_SHIFT,
@@ -140,7 +140,7 @@ def force(self, dt, new_gauge: bool):
             nullptr,
             dt,
             xx.even_ptrs,
-            ndarrayPointer(numpy.array(residue_inv_square_root, "<f8")),
+            numpy.array(residue_inv_square_root, "<f8"),
             self.kappa2,
             self.ck,
             num_offset,

pyquda/action/symanzik_gauge.py

@@ -1,6 +1,6 @@
 import numpy
 
-from ..pointer import Pointers, ndarrayPointer
+from ..pointer import Pointers
 from ..pyquda import computeGaugeLoopTraceQuda, computeGaugeForceQuda
 from ..field import Nc, LatticeInfo
 from ..dirac.pure_gauge import PureGauge
@@ -125,10 +125,10 @@ def __init__(self, latt_info: LatticeInfo, beta: float, u_0: float):
     def action(self) -> float:
         traces = numpy.zeros((self.num_paths), "<c16")
         computeGaugeLoopTraceQuda(
-            ndarrayPointer(traces),
-            ndarrayPointer(self.path),
-            ndarrayPointer(self.lengths),
-            ndarrayPointer(self.coeffs),
+            traces,
+            self.path,
+            self.lengths,
+            self.coeffs,
             self.num_paths,
             self.max_length,
             1,
@@ -139,9 +139,9 @@ def force(self, dt: float):
         computeGaugeForceQuda(
             nullptr,
             nullptr,
-            ndarrayPointer(self.fpath),
-            ndarrayPointer(self.flengths),
-            ndarrayPointer(self.fcoeffs),
+            self.fpath,
+            self.flengths,
+            self.fcoeffs,
             self.num_fpaths,
             self.max_flength,
             dt,

pyquda/action/two_flavor_clover.py

@@ -64,7 +64,7 @@ def force(self, dt, new_gauge: bool):
             nullptr,
             dt,
             ndarrayPointer(self.phi.even.reshape(1, -1), True),
-            ndarrayPointer(numpy.array([1.0], "<f8")),
+            numpy.array([1.0], "<f8"),
             self.kappa2,
             self.ck,
             1,

pyquda/action/wilson_gauge.py

@@ -1,6 +1,6 @@
 import numpy
 
-from ..pointer import Pointers, ndarrayPointer
+from ..pointer import Pointers
 from ..pyquda import computeGaugeLoopTraceQuda, computeGaugeForceQuda
 from ..field import Nc, LatticeInfo
 from ..dirac.pure_gauge import PureGauge
@@ -101,10 +101,10 @@ def __init__(self, latt_info: LatticeInfo, beta: float, u_0: float):
     def action(self) -> float:
         traces = numpy.zeros((self.num_paths), "<c16")
         computeGaugeLoopTraceQuda(
-            ndarrayPointer(traces),
-            ndarrayPointer(self.path),
-            ndarrayPointer(self.lengths),
-            ndarrayPointer(self.coeffs),
+            traces,
+            self.path,
+            self.lengths,
+            self.coeffs,
             self.num_paths,
             self.max_length,
             1,
@@ -115,9 +115,9 @@ def force(self, dt: float):
         computeGaugeForceQuda(
             nullptr,
             nullptr,
-            ndarrayPointer(self.fpath),
-            ndarrayPointer(self.flengths),
-            ndarrayPointer(self.fcoeffs),
+            self.fpath,
+            self.flengths,
+            self.fcoeffs,
             self.num_fpaths,
             self.max_flength,
             dt,

pyquda/dirac/hisq.py

@@ -2,7 +2,7 @@
 
 import numpy
 
-from ..pointer import ndarrayPointer, Pointers
+from ..pointer import Pointers
 from ..pyquda import newMultigridQuda, destroyMultigridQuda, computeKSLinkQuda
 from ..field import LatticeInfo, LatticeGauge
 from ..enum_quda import QudaDslashType, QudaInverterType, QudaReconstructType, QudaPrecision
@@ -147,15 +147,15 @@ def computeFatLong(self, gauge: LatticeGauge):
             nullptr,
             ulink.data_ptrs,
             inlink.data_ptrs,
-            ndarrayPointer(self.fat7_coeff),
+            self.fat7_coeff,
             self.gauge_param,
         )
         computeKSLinkQuda(
             fatlink.data_ptrs,
             longlink.data_ptrs,
             nullptr,
             ulink.data_ptrs,
-            ndarrayPointer(self.level2_coeff),
+            self.level2_coeff,
             self.gauge_param,
         )
 

pyquda/dirac/pure_gauge.py

@@ -1,4 +1,4 @@
-from typing import Any, Literal
+from typing import Literal
 
 import numpy
 from numpy.typing import NDArray
@@ -142,9 +142,9 @@ def path(
         computeGaugePathQuda(
             gauge.data_ptrs,
             gauge.data_ptrs,
-            ndarrayPointer(numpy.ascontiguousarray(input_path_buf)),
-            ndarrayPointer(numpy.ascontiguousarray(path_length)),
-            ndarrayPointer(numpy.ascontiguousarray(loop_coeff)),
+            input_path_buf,
+            path_length,
+            loop_coeff,
             input_path_buf.shape[1],
             input_path_buf.shape[2],
             1.0,
@@ -237,11 +237,12 @@ def qcharge(self):
         return self.obs_param.qcharge
 
     def qchargeDensity(self):
-        # self.obs_param.qcharge_density =
-        # self.obs_param.compute_qcharge_density = QudaBoolean.QUDA_BOOLEAN_TRUE
-        # performGaugeSmearQuda(self.obs_param)
-        # self.obs_param.compute_qcharge_density = QudaBoolean.QUDA_BOOLEAN_TRUE
-        raise NotImplementedError("qchargeDensity not implemented. Confusing size of ndarray.")
+        retval = numpy.zeros((self.latt_info.volume), "<c16")
+        self.obs_param.qcharge_density = ndarrayPointer(retval, True)
+        self.obs_param.compute_qcharge_density = QudaBoolean.QUDA_BOOLEAN_TRUE
+        gaugeObservablesQuda(self.obs_param)
+        self.obs_param.compute_qcharge_density = QudaBoolean.QUDA_BOOLEAN_TRUE
+        return retval
 
     def gauss(self, seed: int, sigma: float):
         gaussGaugeQuda(seed, sigma)