Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / RadonPy/RadonPy issues and pull requests
#58 - Simulate the ionic transport properties of ion polymers in water
Issue -
State: open - Opened by lunyang about 2 months ago
#57 - Error in the assignment of the dihedrals for polyethylene
Issue -
State: open - Opened by huangxiang701 about 2 months ago
#56 - fix: undifined error in MolFromLAMMPSdata
Pull Request -
State: closed - Opened by yhayashi1986 9 months ago
#55 - fix: undifined error in MolFromLAMMPSdata
Pull Request -
State: closed - Opened by yhayashi1986 9 months ago
#54 - Update 0.2.9
Pull Request -
State: closed - Opened by yhayashi1986 9 months ago
#53 - Update README.md
Pull Request -
State: closed - Opened by yhayashi1986 9 months ago
#52 - Future expansion: switching force field
Pull Request -
State: closed - Opened by yhayashi1986 9 months ago
#51 - Future expansion: switching QM solvers
Pull Request -
State: closed - Opened by yhayashi1986 9 months ago
#50 - Adding new atom types
Issue -
State: closed - Opened by similt 11 months ago
- 1 comment
#49 - KeyError: 'AtomicCharge' when running equilibrium md functions
Issue -
State: closed - Opened by mikeboyle321 12 months ago
- 4 comments
#48 - TypeError in quick_rw when using poly.polymerize_rw with LAMMPS
Issue -
State: open - Opened by onecoinbuybus about 1 year ago
#47 - Update README.md
Pull Request -
State: closed - Opened by yhayashi1986 about 1 year ago
#46 - Bug/import from 0.2.8
Pull Request -
State: closed - Opened by yhayashi1986 about 1 year ago
#45 - add: A document about force field descriptor
Pull Request -
State: closed - Opened by yhayashi1986 about 1 year ago
#44 - add: A document about force field descriptor
Pull Request -
State: closed - Opened by yhayashi1986 about 1 year ago
#43 - Add/json read write
Pull Request -
State: closed - Opened by yhayashi1986 about 1 year ago
#42 - Update README.md
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#41 - Update README.md
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#40 - Update README.md
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#39 - Release/0.2.7
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#38 - Fix: setup.py long description
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#37 - Enhancement/compatible python3.11
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#36 - modified setup.py
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#35 - Enhancement: compatible for Psi4 1.8 and Python 3.11
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#34 - fix: undefined variable in Psi4w.scan
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#33 - Fix/compatible lammps 23 jun2022
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#32 - Update README.md
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#31 - Release of PyPI package
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#30 - Release/0.2.6
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#29 - modified setup.py
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#28 - Enhancement: join option is added in poly.polymer_stats
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#27 - Enhancement: changing behavior of psi4_mp=1 in polarlizability calcul…
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#26 - Usage of package OPENMP
Issue -
State: closed - Opened by shoehangxh over 1 year ago
- 4 comments
#25 - Fix/redundant options
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#24 - Enhancement/opt convergence
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#23 - Refactor/use rdkit functions for utils and poly module
Pull Request -
State: closed - Opened by Nodanoda-kun over 1 year ago
#22 - Update README.md
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#21 - bug fix: sample scripts
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#20 - Release/0.2.5
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#19 - Release/0.2.5
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#18 - bug fix: Class MD.Dynamics definition error
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#17 - bug fix: Class MD.Dynamics definition error
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#16 - Release/0.2.3
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#15 - Implementation: calculation of wavelength depended polarizabirity
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#14 - add: yaml files
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#13 - bug fix: undefined variables
Pull Request -
State: closed - Opened by yhayashi1986 over 1 year ago
#12 - Bug/fix undefined variables
Pull Request -
State: closed - Opened by KouheiOda over 1 year ago
- 1 comment
#11 - About the parameters in sample_script
Issue -
State: closed - Opened by lichman0405 almost 2 years ago
- 3 comments
#10 - Calculate FF descriptor for small molecule?
Issue -
State: closed - Opened by arifin-chemist89 almost 2 years ago
- 2 comments
#9 - psi4のマルチプロセスでの動作について
Issue -
State: open - Opened by ryuichi-sakashita almost 2 years ago
#8 - Release/0.2.2
Pull Request -
State: closed - Opened by yhayashi1986 over 2 years ago
#7 - Update 0.2.2
Pull Request -
State: closed - Opened by yhayashi1986 over 2 years ago
#6 - Release/0.2.1
Pull Request -
State: closed - Opened by yhayashi1986 over 2 years ago
#5 - Release/0.2.1
Pull Request -
State: closed - Opened by yhayashi1986 over 2 years ago
#4 - Release 0.2.0
Pull Request -
State: closed - Opened by yhayashi1986 over 2 years ago
#3 - Update logo
Pull Request -
State: closed - Opened by yhayashi1986 over 2 years ago
#2 - modified README
Pull Request -
State: closed - Opened by yhayashi1986 over 2 years ago
#1 - add logo
Pull Request -
State: closed - Opened by yhayashi1986 over 2 years ago