Commit 66f6947e by Artem Pulkin

### cython: remove bounds checking for openmp

parent 8173caae
Pipeline #44245 passed with stage
in 2 minutes and 31 seconds
 ... ... @@ -7,6 +7,7 @@ from cython.parallel import prange # Template potential-2.pyx # A two-point potential: depends on the distance between pairs of atoms def kernel_general_2( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -50,6 +51,7 @@ def kernel_general_2( # Template potential-2-g.pyx # A two-point potential: depends on the distance between pairs of atoms def kernel_g_general_2( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -103,6 +105,7 @@ def kernel_g_general_2( # Template potential-3.pyx # A three-point potential: depends on the distance between two pairs of atoms # sharing the same atom at origin and the cosine of the angle formed def kernel_general_3( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -167,6 +170,7 @@ def kernel_general_3( # Template potential-3-g.pyx # A three-point potential: depends on the distance between two pairs of atoms # sharing the same atom at origin and the cosine of the angle formed def kernel_g_general_3( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -259,6 +263,7 @@ def kernel_g_general_3( # Template potential-2.pyx # A two-point potential: depends on the distance between pairs of atoms def kernel_harmonic_repulsion( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -302,6 +307,7 @@ def kernel_harmonic_repulsion( # Template potential-2-g.pyx # A two-point potential: depends on the distance between pairs of atoms def kernel_g_harmonic_repulsion( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -354,6 +360,7 @@ def kernel_g_harmonic_repulsion( # Template potential-2.pyx # A two-point potential: depends on the distance between pairs of atoms def kernel_lj( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -397,6 +404,7 @@ def kernel_lj( # Template potential-2-g.pyx # A two-point potential: depends on the distance between pairs of atoms def kernel_g_lj( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -449,6 +457,7 @@ def kernel_g_lj( # Template potential-2.pyx # A two-point potential: depends on the distance between pairs of atoms def kernel_sw_phi2( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -492,6 +501,7 @@ def kernel_sw_phi2( # Template potential-2-g.pyx # A two-point potential: depends on the distance between pairs of atoms def kernel_g_sw_phi2( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -545,6 +555,7 @@ def kernel_g_sw_phi2( # Template potential-3.pyx # A three-point potential: depends on the distance between two pairs of atoms # sharing the same atom at origin and the cosine of the angle formed def kernel_sw_phi3( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -609,6 +620,7 @@ def kernel_sw_phi3( # Template potential-3-g.pyx # A three-point potential: depends on the distance between two pairs of atoms # sharing the same atom at origin and the cosine of the angle formed def kernel_g_sw_phi3( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -701,6 +713,7 @@ def kernel_g_sw_phi3( # Template potential-2.pyx # A two-point potential: depends on the distance between pairs of atoms def kernel_mlsf_g2( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -744,6 +757,7 @@ def kernel_mlsf_g2( # Template potential-2-g.pyx # A two-point potential: depends on the distance between pairs of atoms def kernel_g_mlsf_g2( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -797,6 +811,7 @@ def kernel_g_mlsf_g2( # Template potential-3.pyx # A three-point potential: depends on the distance between two pairs of atoms # sharing the same atom at origin and the cosine of the angle formed def kernel_mlsf_g5( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -865,6 +880,7 @@ def kernel_mlsf_g5( # Template potential-3-g.pyx # A three-point potential: depends on the distance between two pairs of atoms # sharing the same atom at origin and the cosine of the angle formed def kernel_g_mlsf_g5( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -963,6 +979,7 @@ def kernel_g_mlsf_g5( # Template potential-3.pyx # A three-point potential: depends on the distance between two pairs of atoms # sharing the same atom at origin and the cosine of the angle formed def kernel_mlsf_g4( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -1034,6 +1051,7 @@ def kernel_mlsf_g4( # Template potential-3-g.pyx # A three-point potential: depends on the distance between two pairs of atoms # sharing the same atom at origin and the cosine of the angle formed def kernel_g_mlsf_g4( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -1142,6 +1160,7 @@ def kernel_g_mlsf_g4( # Template potential-2.pyx # A two-point potential: depends on the distance between pairs of atoms def kernel_sigmoid( int[::1] r_indptr, int[::1] r_indices, ... ... @@ -1185,6 +1204,7 @@ def kernel_sigmoid( # Template potential-2-g.pyx # A two-point potential: depends on the distance between pairs of atoms def kernel_g_sigmoid( int[::1] r_indptr, int[::1] r_indices, ... ...
 ... ... @@ -87,9 +87,11 @@ class BuildPotentials(Command): if p["openmp"]: p["range"] = "prange" p["range_args"] = "nogil=True" p["decorators"] = "@cython.boundscheck(False)\n@cython.wraparound(False)" else: p["range"] = "range" p["range_args"] = "" p["decorators"] = "" del p["openmp"] template_kind = p["type"] if len(p["parameters"]) > 0: ... ...
 # Template potential-2-g.pyx # A two-point potential: depends on the distance between pairs of atoms \$decorators def kernel_g_\$name( int[::1] r_indptr, int[::1] r_indices, ... ...
 # Template potential-2.pyx # A two-point potential: depends on the distance between pairs of atoms \$decorators def kernel_\$name( int[::1] r_indptr, int[::1] r_indices, ... ...
 # Template potential-3-g.pyx # A three-point potential: depends on the distance between two pairs of atoms # sharing the same atom at origin and the cosine of the angle formed \$decorators def kernel_g_\$name( int[::1] r_indptr, int[::1] r_indices, ... ...
 # Template potential-3.pyx # A three-point potential: depends on the distance between two pairs of atoms # sharing the same atom at origin and the cosine of the angle formed \$decorators def kernel_\$name( int[::1] r_indptr, int[::1] r_indices, ... ...
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