Search results

<code>gmxapi.commandline_operation</code> seems to have memory leaks

Status: Open.

#274 In kassonlab/gmxapi;

· weitse-hsu opened on Apr 27, 2023

How to implement trjcat?

Status: Open.

#268 In kassonlab/gmxapi;

· sperezconesa opened on Mar 14, 2021

Accesing commandline output.

Status: Open.

#262 In kassonlab/gmxapi;

· sperezconesa opened on Jun 8, 2020

Validity checks for WorkSpec updates are not applied consistently.

bug

Status: Open.

#261 In kassonlab/gmxapi;

· eirrgang opened on May 12, 2020

Provide long description for gmxapi package

Status: Open.

#251 In kassonlab/gmxapi;

· eirrgang opened on Jan 13, 2020

Enable readthedocs build for &gt;= 0.2a

gmxapipertains to this repository and the Python module supportpertains to this repository and the Python module support

taskTask in support of a larger issueTask in support of a larger issue

Status: Open.

#250 In kassonlab/gmxapi;

· eirrgang opened on Jan 13, 2020

Enable readthedocs build for 0.1.0.1

gmxapipertains to this repository and the Python module supportpertains to this repository and the Python module support

taskTask in support of a larger issueTask in support of a larger issue

Status: Open.

#249 In kassonlab/gmxapi;

· eirrgang opened on Jan 13, 2020

Specifications for referencing external data sources in serialized work

Status: Open.

#237 In kassonlab/gmxapi;

· eirrgang opened on Oct 23, 2019

·  

gmxapi_workspec_0_2

Avoid race conditions from unsynchronized ensembles

enhancement

gmxapipertains to this repository and the Python module supportpertains to this repository and the Python module support

Status: Open.

#231 In kassonlab/gmxapi;

· eirrgang opened on Jul 17, 2019

Provide more support for GROMACS Jenkins testing.

gmxapipertains to this repository and the Python module supportpertains to this repository and the Python module support

sample_restraintpertains specifically to kassonlab/sample_restraintpertains specifically to kassonlab/sample_restraint

Status: Open.

#216 In kassonlab/gmxapi;

· eirrgang opened on Dec 21, 2018

Do more to check for unexpected mpiexec

bug

Status: Open.

#215 In kassonlab/gmxapi;

· eirrgang opened on Dec 14, 2018

Context still thinks it has an active session after Session.close()

bug

gromacspertains specifically to GROMACS library support. See kassonlab/gromacs-gmxapipertains specifically to GROMACS library support. See kassonlab/gromacs-gmxapi

Status: Open.

#214 In kassonlab/gmxapi;

· eirrgang opened on Dec 13, 2018