evaleev / libint

Libint: high-performance library for computing Gaussian integrals in quantum mechanics
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Unittest c-api failed #143

Closed bimalgaudel closed 5 years ago

bimalgaudel commented 5 years ago

A test failed in libint-2.6.0 because of the line pfac = pow(M_PI,2.5)*K1*K2/(gammap*gammaq*sqrt(gammap+gammaq)); in the file tests/unit/c-api.c. It passed once M_PI was defined to be 3.1415926 at the beginning of that file.