From 2dd9fe2f349a8c1c03144c7ecaca4d346b033019 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Sat, 5 Oct 2019 20:38:04 +0300 Subject: [PATCH] Minor stuff. Former-commit-id: c0de35f6a52ce4cc4f34cf4b417364d92e8dac4d --- qpms/ewaldsf.c | 13 ++++++++++--- qpms/qpms_c.pyx | 6 ++++++ qpms/qpms_p.py | 2 +- 3 files changed, 17 insertions(+), 4 deletions(-) diff --git a/qpms/ewaldsf.c b/qpms/ewaldsf.c index 46c30db..e0596cb 100644 --- a/qpms/ewaldsf.c +++ b/qpms/ewaldsf.c @@ -37,6 +37,8 @@ void IgnoreUnderflowsGSLErrorHandler (const char * reason, // DLMF 8.7.3 (latter expression) for complex second argument // BTW if a is large negative, it might take a while to evaluate. +// This can't be used for non-positive integer a due to +// Г(a) in the formula. int cx_gamma_inc_series_e(const double a, const complex double z, qpms_csf_result * result) { if (a <= 0 && a == (int) a) { result->val = NAN + NAN*I; @@ -160,7 +162,7 @@ int cx_gamma_inc_CF_e(const double a, const complex double z, qpms_csf_result *r } -// incomplete gamma for complex second argument +/// Incomplete gamma function for complex second argument. int complex_gamma_inc_e(double a, complex double x, qpms_csf_result *result) { if (creal(x) >= 0 && (0 == fabs(cimag(x)) || // x is real positive; just use the real fun @@ -172,9 +174,14 @@ int complex_gamma_inc_e(double a, complex double x, qpms_csf_result *result) { return retval; } else if (creal(x) >= 0 && cabs(x) > 0.5) return cx_gamma_inc_CF_e(a, x, result); - else + else if (QPMS_LIKELY(a > 0 || (a % 1.0))) return cx_gamma_inc_series_e(a, x, result); - + else + /* FIXME cx_gamma_inc_series_e() probably fails for non-positive integer a. + * This does not matter for 2D lattices in 3D space, + * but it might cause problems in the other cases. + */ + QPMS_NOT_IMPLEMENTED("Incomplete Gamma function with non-positive integer a."); } // Exponential integral for complex argument; !UNTESTED! and probably not needed, as I expressed everything in terms of inc. gammas anyways. diff --git a/qpms/qpms_c.pyx b/qpms/qpms_c.pyx index 7cd033f..70c17b6 100644 --- a/qpms/qpms_c.pyx +++ b/qpms/qpms_c.pyx @@ -592,6 +592,12 @@ def pitau(double theta, qpms_l_t lMax, double csphase = -1): qpms_pitau_fill(&leg[0], &pi[0], &tau[0], theta, lMax, csphase) return (lega, pia, taua) +def linton_gamma(cdouble x): + return clilgamma(x) + +def linton_gamma_real(double x): + return lilgamma(x) + def gamma_inc(double a, cdouble x): cdef qpms_csf_result res with pgsl_ignore_error(15): #15 is underflow diff --git a/qpms/qpms_p.py b/qpms/qpms_p.py index ddc9296..43681a0 100644 --- a/qpms/qpms_p.py +++ b/qpms/qpms_p.py @@ -1,5 +1,5 @@ import numpy as np -from qpms_c import * +from .qpms_c import * ň = np.newaxis import scipy from scipy.constants import epsilon_0 as ε_0, c, pi as π, e, hbar as ℏ, mu_0 as μ_0