Jeremy M. G. Leung
Jeremy M. G. Leung
I've noticed there is an older issue thread #26 on improving error messages that was never merged. (https://github.com/westpa/westpa/tree/error_handling). I haven't had the chance to go through everything but I think...
_Repost of #167_ ## Propagation Failed Sample Error: sim_manager.py", line 696, in check_propagation "propagation failed for {:d} segments".format(len(failed_segments)) westpa.sim_manager.PropagationError: propagation failed for 14 segments Relevant Code: https://github.com/westpa/westpa/blob/main/src/west/sim_manager.py#L524 Potential Causes: -...
_repost of #165_ ## Weights are not normalized assertion error See that issue for some of Matt and John's discussion on it. Sample Error: `assert abs(1 - norm) < EPS*(len(segments)+n_active_bins)...
_repost of #185_ ## More informative error message when paths in west.cfg do not exist by jdrusso ### Sample Error: ``` System is being built only off of the system...
_repost of #170_ ## w_pdist ValueError: Value out of bin boundaries by jdrusso ### Sample Error: ``` Traceback (most recent call last): .... File "/Users/russojd/anaconda3/envs/westpa-2020/westpa-2020.03/lib/west_tools/w_pdist.py", line 53, in _remote_bin_iter histnd(dset[:,ipt,:],...
> Just a note that since conda-forge builds from the tarball and not the wheel, we should make sure this uploads both, if it's not setup to do so already....
Hi Ashlin, Thanks for bringing this up. Specifically regarding the mdtraj read/loading pdb files with overflow, I've written a PR for `mdtraj` which should overall fix the loading issue. https://github.com/mdtraj/mdtraj/pull/1849...
> Hi Jeremy, > > I apologize for the late response; I was traveling back from home. > > Thank you for the mdtraj PR regarding the loading issue. >...
This should no longer be an issue.