Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / jag1g13/pycgtool issues and pull requests
#55 - build(deps): bump certifi from 2021.10.8 to 2022.12.7
Pull Request -
State: open - Opened by dependabot[bot] over 1 year ago
Labels: dependencies
#53 - Rename `master` branch to `main`
Pull Request -
State: closed - Opened by jag1g13 over 2 years ago
#52 - PyCGTOOL v2.0.0
Pull Request -
State: closed - Opened by jag1g13 over 2 years ago
#51 - Error when output frame contains no atoms
Issue -
State: closed - Opened by jag1g13 about 3 years ago
- 1 comment
#50 - ci: add Windows to CI matrix
Pull Request -
State: open - Opened by jag1g13 about 3 years ago
- 1 comment
#49 - Add CI job to build standalone executables
Pull Request -
State: closed - Opened by jag1g13 about 3 years ago
#48 - Investigate alternative installation methods
Issue -
State: closed - Opened by jag1g13 about 3 years ago
- 3 comments
Labels: enhancement, question
#47 - Release/1.0.2
Pull Request -
State: closed - Opened by jag1g13 about 3 years ago
#46 - Update PyCGTOOL 1.x to work on newer version of Python
Issue -
State: closed - Opened by jag1g13 about 3 years ago
- 1 comment
#45 - Error in numba.jit function declaration types
Issue -
State: closed - Opened by MaryamSSadeghi about 3 years ago
- 3 comments
#44 - ci: simplify tox config
Pull Request -
State: closed - Opened by jag1g13 about 3 years ago
- 1 comment
#43 - Replace test process with tox
Pull Request -
State: closed - Opened by jag1g13 about 3 years ago
- 1 comment
#42 - Prepare for 2.0.0 release
Pull Request -
State: closed - Opened by jag1g13 over 3 years ago
#41 - Backmapping
Pull Request -
State: closed - Opened by jag1g13 over 3 years ago
- 1 comment
#40 - Clean build
Pull Request -
State: closed - Opened by jag1g13 over 3 years ago
#39 - Make conda package
Issue -
State: closed - Opened by jag1g13 over 3 years ago
- 1 comment
#38 - CI jobs failing on OSX
Issue -
State: closed - Opened by jag1g13 over 3 years ago
- 1 comment
Labels: bug
#37 - ci: add python 3.9 and macos to ci matrix
Pull Request -
State: closed - Opened by jag1g13 over 3 years ago
#36 - Refactor mapping to process whole trajectory in a single operation
Pull Request -
State: closed - Opened by jag1g13 over 3 years ago
#35 - Increase test coverage on all files to 90%
Pull Request -
State: closed - Opened by jag1g13 over 3 years ago
#34 - Replace core with MDTraj
Pull Request -
State: closed - Opened by jag1g13 almost 4 years ago
#33 - Merge in modernisation and cleaning of dev branch
Pull Request -
State: closed - Opened by jag1g13 almost 4 years ago
#32 - Fix CI linting errors
Pull Request -
State: closed - Opened by jag1g13 almost 4 years ago
#30 - Topolopy
Pull Request -
State: closed - Opened by js1710 over 5 years ago
#29 - Link any residues
Pull Request -
State: open - Opened by js1710 over 5 years ago
#28 - Link any residues
Pull Request -
State: closed - Opened by js1710 over 5 years ago
#27 - Advanced commandline
Pull Request -
State: closed - Opened by js1710 over 5 years ago
- 1 comment
#26 - fixed bug where dihedral values given to itp where the equilibrium va…
Pull Request -
State: closed - Opened by js1710 over 5 years ago
#25 - print exclusions for each virtual site so that they do not interact w…
Pull Request -
State: closed - Opened by js1710 over 5 years ago
#24 - Exclusions
Pull Request -
State: closed - Opened by js1710 over 5 years ago
#23 - Advanced commandline
Pull Request -
State: closed - Opened by js1710 over 5 years ago
#22 - Refactor Boltzmann Inversion for angles
Pull Request -
State: closed - Opened by jag1g13 over 5 years ago
- 1 comment
#21 - circular variance function fixed and further tests added to check this
Pull Request -
State: closed - Opened by js1710 over 5 years ago
#20 - Dihedrals
Pull Request -
State: closed - Opened by js1710 over 5 years ago
- 1 comment
#19 - Virtual sites
Pull Request -
State: closed - Opened by js1710 over 5 years ago
#17 - Fails with exception when input files have different number of atoms
Issue -
State: closed - Opened by jag1g13 about 7 years ago
#16 - Curses error when terminal is too small for interface
Issue -
State: closed - Opened by jag1g13 about 7 years ago
- 1 comment
#15 - Abstract writing of output files
Issue -
State: closed - Opened by jag1g13 over 7 years ago
- 1 comment
Labels: enhancement
#14 - Calculate parameters for dihedrals with multiplicity >1
Issue -
State: open - Opened by jag1g13 over 7 years ago
Labels: enhancement
#13 - Tutorial clarifications
Pull Request -
State: closed - Opened by dww100 over 7 years ago
- 1 comment
#12 - More warnings
Issue -
State: closed - Opened by jag1g13 over 7 years ago
- 1 comment
#11 - Guess masses of atoms if COM mapping is used without an itp input
Issue -
State: closed - Opened by jag1g13 over 7 years ago
Labels: enhancement
#10 - Add multiprocessing
Issue -
State: closed - Opened by jag1g13 almost 8 years ago
- 1 comment
#9 - Make use of mdtraj.Trajectory
Issue -
State: closed - Opened by jag1g13 about 8 years ago
- 1 comment
Labels: enhancement
#8 - Polymer bond code makes (sometimes) incorrect assumption
Issue -
State: closed - Opened by jag1g13 about 8 years ago
- 1 comment
Labels: bug
#7 - Add estimated time to completion to progress bar
Issue -
State: closed - Opened by jag1g13 about 8 years ago
Labels: enhancement
#6 - Create mapping files for molecules in standard MARTINI set
Issue -
State: open - Opened by jag1g13 about 8 years ago
- 2 comments
Labels: enhancement, help wanted
#5 - Add other output formats - LAMMPS
Issue -
State: closed - Opened by jag1g13 over 8 years ago
- 1 comment
Labels: enhancement
#4 - Create angles/dihedrals automatically from bond topology
Issue -
State: closed - Opened by jag1g13 over 8 years ago
- 1 comment
Labels: enhancement
#3 - Convert bond lengths with high force constants into constraints
Issue -
State: closed - Opened by jag1g13 over 8 years ago
Labels: enhancement
#2 - Allow bonds in polymers to be defined with RTP style +-
Issue -
State: closed - Opened by jag1g13 over 8 years ago
- 3 comments
Labels: enhancement
#1 - Allow bonds to be defined by bead numbers
Issue -
State: closed - Opened by jag1g13 over 8 years ago
- 1 comment
Labels: enhancement