Ecosyste.ms: Issues

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GitHub / westpa/westpa_tutorials issues and pull requests

#32 - GROMACS 2021 Test files

Pull Request - State: open - Opened by rheaabraham9 10 months ago

#31 - Fixes to the GPU tutorials + new tutorial that runs on processes

Pull Request - State: closed - Opened by jeremyleung521 over 1 year ago

#30 - Added basic NaCl GROMACS tutorial

Pull Request - State: closed - Opened by atbogetti over 1 year ago

#29 - Sample SLURM script for NaCl looks for Python 2.7 (and has a typo)

Issue - State: closed - Opened by jdrusso almost 2 years ago - 1 comment

#28 - Updating the NAMD tutorial for WESTPA 2.0

Pull Request - State: closed - Opened by atbogetti over 2 years ago

#24 - Fix to group function tutorials (Typo in west.cfgs)

Pull Request - State: closed - Opened by jeremyleung521 over 3 years ago

#23 - WESTPA 2.0: Amber GPU Tutorial Fix

Pull Request - State: closed - Opened by jeremyleung521 over 3 years ago

#22 - Amber GPU tutorial fix to use pmemd

Pull Request - State: closed - Opened by jeremyleung521 over 3 years ago

#21 - Sample code for WESTPA 2.0 Python API

Pull Request - State: closed - Opened by jeremyleung521 over 3 years ago

#20 - added turorials for using the new resampler

Pull Request - State: closed - Opened by atbogetti almost 4 years ago

#19 - updated the WCA tutorial to use python 3, a single GTX 1080, and OpenMM 7.4

Pull Request - State: closed - Opened by dnlebard almost 4 years ago - 3 comments

#18 - update analysis scripts for advanced_chignolin

Pull Request - State: closed - Opened by junchaoxia almost 4 years ago
Labels: bug, enhancement

#17 - update analyzing scripts to python3

Issue - State: closed - Opened by junchaoxia almost 4 years ago
Labels: enhancement

#16 - added tutorials for the mpi work manager

Pull Request - State: closed - Opened by atbogetti about 4 years ago

#15 - Westpa 2.0 restruct

Pull Request - State: closed - Opened by atbogetti about 4 years ago

#14 - Audrey's Group by history

Pull Request - State: open - Opened by burntyellow about 4 years ago

#13 - Cleaned up

Pull Request - State: closed - Opened by atbogetti over 4 years ago

#12 - Added a folder for developers

Pull Request - State: closed - Opened by atbogetti over 4 years ago

#11 - Executable version of odld using the MPI work-manager.

Pull Request - State: open - Opened by burntyellow over 4 years ago

#10 - Add executable version of odld example.

Pull Request - State: open - Opened by burntyellow over 4 years ago

#9 - Add MPI work manager example based on the basic_nacl_amber example.

Pull Request - State: open - Opened by burntyellow over 4 years ago

#8 - basic_nacl for westpa 2.0 restruct

Pull Request - State: closed - Opened by synapticarbors over 4 years ago

#7 - NaCL Amber multi-GPU example

Pull Request - State: closed - Opened by burntyellow over 4 years ago - 1 comment

#6 - Run pmemd using MPI.

Pull Request - State: closed - Opened by burntyellow over 4 years ago - 1 comment

#5 - slightly expanded steady state/flux sentence

Pull Request - State: closed - Opened by dmzuckerman over 5 years ago

#4 - Fix typos

Pull Request - State: closed - Opened by jbarnoud over 5 years ago - 1 comment

#3 - h5py=2.6 is incompatible with westpa-2017.10-py27_0

Issue - State: closed - Opened by jbarnoud over 5 years ago - 4 comments

#2 - Merge pull request #1 from westpa/master

Pull Request - State: closed - Opened by atbogetti over 5 years ago

#1 - Adding in w_ipa stuff

Pull Request - State: closed - Opened by astatide over 5 years ago