f1ef7d85a8
The following changes have been applied to src and lib folders: regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib) Manually find/change: (void \*) nullptr ⇒ nullptr (1 case) regex find: ".*?nullptr.*?" Manually ~14 cases back to "NULL" in src, ~2 in lib regex finds a few false positive where nullptr appears between two strings in a function call
This package implements the styles that are needed to use typical force fields
generated by QuickFF for the simulation of metal-organic frameworks. The
QuickFF methodology is detailed in following papers:
Vanduyfhuys et al., J. Comput. Chem., 36 (13), 1015-1027 (2015) https://doi.org/10.1002/jcc.23877
Vanduyfhuys et al., J. Comput. Chem., 39 (16), 999-1011 (2018) https://doi.org/10.1002/jcc.25173
The corresponding software package can be found on http://molmod.github.io/QuickFF