grimme-lab/multicharge
Electronegativity equilibration model for atomic partial charges
FortranApache-2.0
Issues
- 1
- 0
Read-in and Usage of System Charges
#27 opened by lukaswittmann - 0
Wrong energy gradient for charged systems
#26 opened by marvinfriede - 0
Segfault for large systems
#23 opened by marvinfriede - 0
Meson build file failing
#22 opened by aradi - 1
cmake fails to find mstore
#13 opened by yurivict - 0
Support for CMake build system
#5 opened by awvwgk - 3
Add note about git version in README.md
#2 opened by f3rmion