Activity

From 07/03/2014 to 08/01/2014

07/30/2014

05:09 PM Feature #196: Deterministic option
Just realized that the auto-tuner should also lead to non-deterministic results, as the floating-point reduction
in ...
jglaser

07/23/2014

01:01 PM Bug #1727 (Resolved): NVT does not conserve the conserved quantity
Applied in changeset commit:853f4d549142a2d5cd1adaaeaba33afe6f031a8d. joaander
10:36 AM Bug #1727: NVT does not conserve the conserved quantity
joaander wrote:
> Excellent, thanks for doing this Jens. Let me know when you've done enough testing that this is go...
jglaser

07/08/2014

01:01 PM Bug #3088 (Resolved): analyze.msd: r0_file processed incorrectly
Applied in changeset commit:3b586596b946f7b7f64820aabe8988aa3716e513. joaander
12:48 PM Bug #3088 (Resolved): analyze.msd: r0_file processed incorrectly
The r0_file handles images incorrectly. joaander
01:01 PM Bug #3079 (Resolved): uneeded dependancy on tr1/random
Applied in changeset commit:9598cc04937e796e558620d00c3dba15d2e368df. joaander

07/07/2014

01:39 PM Bug #3079: uneeded dependancy on tr1/random
waiting for a patch from Chris Knorowski joaander
01:39 PM Task #3087 (New): Remove old NVT integrator
The new one is superior joaander
01:38 PM Bug #1727: NVT does not conserve the conserved quantity
Excellent, thanks for doing this Jens. Let me know when you've done enough testing that this is good to merge into ma... joaander
01:33 PM Bug #3073 (Resolved): MPI runs hang when the xml file is missing
joaander

07/03/2014

07:01 PM Bug #1727: NVT does not conserve the conserved quantity
jglaser wrote:
> I implemented the MTK integrator in branch *nvt_mtk*.
> It appears to be working correctly, accord...
jglaser
06:59 PM Bug #1727: NVT does not conserve the conserved quantity
I implemented the MTK integrator in branch *nvt_mtk*.
It appears to be working correctly, according to the correspon...
jglaser
10:46 AM Bug #1727: NVT does not conserve the conserved quantity
A bad NVT integrator combined with the asynchronous thermo computations results in incorrect KE, temperature, and pre... joaander
10:30 AM Task #3080 (New): evauluate K(v(t+1/2)) issues with rigid body integrators
Need to look into this subtle t+1/2 temperature evaluation issue with the rigid body integrators. joaander
 

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