Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / libAtoms/pymatnest issues and pull requests
#23 - Adding Wang potential
Pull Request -
State: open - Opened by SebastianHavens about 1 year ago
- 1 comment
#22 - Merging surface features from wexlergroup into main pymatnest
Pull Request -
State: closed - Opened by yangmr04 over 1 year ago
- 10 comments
#21 - Doc fixes
Pull Request -
State: closed - Opened by stenczelt about 2 years ago
#20 - Doc build
Pull Request -
State: closed - Opened by stenczelt about 2 years ago
- 1 comment
#19 - Modernize ns_process_traj
Pull Request -
State: closed - Opened by bernstei over 2 years ago
- 1 comment
#18 - ns_process_traj: quippy dependencies and python 2 code
Issue -
State: closed - Opened by casv2 over 2 years ago
- 1 comment
#17 - Fix small bug where truncating traj file on restart failed if the file had only one config
Pull Request -
State: closed - Opened by bernstei over 2 years ago
- 1 comment
#16 - MPI restart bug?
Issue -
State: closed - Opened by casv2 over 2 years ago
- 21 comments
#15 - Replace outdated quippy with ASE
Pull Request -
State: closed - Opened by bernstei over 2 years ago
- 1 comment
#14 - more output from ns_analyse, in particular Helmholtz free energy
Pull Request -
State: closed - Opened by bernstei over 3 years ago
- 5 comments
#13 - make it possible to use serial lammps library
Pull Request -
State: closed - Opened by bernstei over 3 years ago
- 2 comments
#12 - no way to disable sending communicator to lammps initializer
Issue -
State: closed - Opened by bernstei over 3 years ago
#11 - Fix bug in log_Z_term_max calculation introduced during python3 update
Pull Request -
State: closed - Opened by bernstei about 4 years ago
#10 - Nested sampling failed for converge_down_to_T
Issue -
State: closed - Opened by pythonpanda2 about 4 years ago
- 12 comments
#9 - implemented ACE calculator, requires pyjulip
Pull Request -
State: closed - Opened by casv2 about 4 years ago
#8 - License?
Issue -
State: closed - Opened by jan-janssen over 4 years ago
- 3 comments
#7 - Incorrect Contents of `misc_calc_lib`
Issue -
State: closed - Opened by rosenbrockc over 6 years ago
- 2 comments
#6 - lammpslib.py - failing in test cases
Issue -
State: open - Opened by alvarovm over 7 years ago
#5 - Change gather of forces in lammpslib
Pull Request -
State: open - Opened by marshallmcdonnell almost 8 years ago
#4 - Poor parallel scaling efficiency due to MPI_gather_all
Issue -
State: open - Opened by erlendd almost 8 years ago
- 3 comments
#3 - 'cell' variable isn't being set since recent updates
Issue -
State: closed - Opened by erlendd almost 8 years ago
- 5 comments
#2 - errror in LAMMPS example
Issue -
State: open - Opened by alvarovm almost 8 years ago
- 8 comments
#1 - Possible bug in example_LJ_model.F90
Issue -
State: closed - Opened by erlendd over 8 years ago
- 5 comments