Related Issues (20)
- Undesired atom type assignment of aluminium with UFF4MOF
- LAMMPS implementation of angle_style cosine/periodic contains undocumented factor 2 HOT 19
- Cannot install lammps-interface by PyPI HOT 4
- suppress "fatal: not a git repository" message HOT 2
- self diffusion for UMCM-1 with 1-phenylamine HOT 2
- recursion limit HOT 1
- Extending FF verbosity to allow easier manual post-modification of lmp.data file ?
- Error in generating raspa input from polymer cif file
- Unit cell being expanded when not needed?
- error running test HOT 2
- New maintainer wanted! HOT 7
- TypeError: 'method' object is not iterable HOT 1
- Sulfur atom typing incomplete for sp3 hybridization
- Typo in lammps_main.py response = input("Would you like to replicate molceule %i with atoms (%s) in the supercell? [y/n]: "% HOT 1
- update readthedocs config
- Conversion of 'cosine/periodic' bond angles in lammps input files is not supported
- Invalid atom ID in the dihedral section of the datafile HOT 5
- 0 neighbors found for Zr atoms in UiO-66 structure
- Change in the potential function
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from lammps_interface.