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Wrappers for testing z != 0 lattice sum related special functions. 

Former-commit-id: a6be46f81850b1c01c72ea96c141c92a98f6ace8
This commit is contained in:
Marek Nečada 2020-05-22 15:44:20 +03:00
parent 85dbf79caa
commit 626ffd77cd
2 changed files with 29 additions and 1 deletions
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24
qpms/cyewaldtest.pyx Normal file
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@ -0,0 +1,24 @@
from .qpms_cdefs cimport *
from libc.stdlib cimport malloc, free, calloc
import numpy as np
cdef extern from "ewald.h":
void ewald3_2_sigma_long_Delta(qpms_csf_result *target, int maxn, cdouble x, cdouble z)
int complex_gamma_inc_e(double a, cdouble x, int m, qpms_csf_result *result)
def e32_Delta(int maxn, cdouble x, cdouble z):
cdef qpms_csf_result *target = <qpms_csf_result *>malloc((maxn+1)*sizeof(qpms_csf_result))
cdef np.ndarray[cdouble, ndim=1] target_np = np.empty((maxn+1,), dtype=complex, order='C')
ewald3_2_sigma_long_Delta(target, maxn, x, z)
cdef int i
for i in range(maxn+1):
target_np[i] = target[i].val
free(target)
return target_np
def gamma_inc(double a, cdouble x, int m=0):
cdef qpms_csf_result res
complex_gamma_inc_e(a, x, m, &res)
return res.val

6
setup.py
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@ -121,6 +121,10 @@ cyquaternions = Extension('qpms.cyquaternions',
#extra_link_args=['amos/libamos.a', 'qpms/libqpms.a'], #extra_link_args=['amos/libamos.a', 'qpms/libqpms.a'],
libraries=['qpms', 'gsl', 'lapacke', 'blas', 'gslcblas', 'pthread',] libraries=['qpms', 'gsl', 'lapacke', 'blas', 'gslcblas', 'pthread',]
) )
cyewaldtest = Extension('qpms.cyewaldtest',
sources = ['qpms/cyewaldtest.pyx'],
libraries=['qpms', 'gsl', 'lapacke', 'blas', 'gslcblas', 'pthread',]
)
qpms_c = Extension('qpms.qpms_c', qpms_c = Extension('qpms.qpms_c',
sources = [ sources = [
@ -144,7 +148,7 @@ setup(name='qpms',
#'quaternion','spherical_functions', #'quaternion','spherical_functions',
'scipy>=0.18.0', 'sympy>=1.2'], 'scipy>=0.18.0', 'sympy>=1.2'],
#dependency_links=['https://github.com/moble/quaternion/archive/v2.0.tar.gz','https://github.com/moble/spherical_functions/archive/master.zip'], #dependency_links=['https://github.com/moble/quaternion/archive/v2.0.tar.gz','https://github.com/moble/spherical_functions/archive/master.zip'],
ext_modules=cythonize([qpms_c, cywaves, cytranslations, cytmatrices, cycommon, cyquaternions, cybspec, cymaterials], include_path=['qpms', 'amos'], gdb_debug=True), ext_modules=cythonize([qpms_c, cywaves, cytranslations, cytmatrices, cycommon, cyquaternions, cybspec, cymaterials, cyewaldtest], include_path=['qpms', 'amos'], gdb_debug=True),
cmdclass = {'build_ext': build_ext}, cmdclass = {'build_ext': build_ext},
zip_safe=False zip_safe=False
) )