diffpy / libdiffpy

DiffPy C++ library for calculation of PDF and other real-space quantities
Other
7 stars 13 forks source link

Add PQEvaluatorValidate for verifying optimized procedure #7

Closed pavoljuhas closed 8 years ago

pavoljuhas commented 8 years ago

Have it compare results from optimized evaluation with a standard one. Abort for differences larger than round-off errors.

pavoljuhas commented 8 years ago

👍 - badly needed for validating results with OPTIMIZED evaluator.

pavoljuhas commented 8 years ago

Implemented in 6b92b128d19e030d9eb5773be7854c6c825c8fa4 and 2e20d2a1915bd6d8e2561a7014723a3a997b4090.