increase tolerance metropolis test

[kjs73]

Sometimes this test fails due to fluctuations (different seeds). The tolerance on the heat capacity is increased to make that less likely. Alternatively one could also fix the rng seed.

[smcantab]

let's fix the seed, it's much easier to detect problems that way

On Mon, Jul 14, 2014 at 3:14 PM, kjs73 notifications@github.com wrote:

Sometimes this test fails due to fluctuations (different seeds). The tolerance on the heat capacity is increased to make that less likely.

Alternatively one could also fix the rng seed.

You can merge this Pull Request by running

git pull https://github.com/kjs73/mcpele test_fluctuation

Or view, comment on, or merge it at:

https://github.com/pele-python/mcpele/pull/25 Commit Summary

• increase tolerance

File Changes

• M mcpele/monte_carlo/tests/test_metropolis_mcrunner.py https://github.com/pele-python/mcpele/pull/25/files#diff-0 (8)

Patch Links:

• https://github.com/pele-python/mcpele/pull/25.patch
• https://github.com/pele-python/mcpele/pull/25.diff

— Reply to this email directly or view it on GitHub https://github.com/pele-python/mcpele/pull/25.

[kjs73]

OK I agree that fixing the seed is better.

[js850]

Please also fix the seed.