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lammps/src/USER-YAFF
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Axel Kohlmeyer 96d8d12a88 replace calls to force->*numeric() with the corresponding utils::*numeric() 
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
..
angle_cross.cpp
replace calls to force->*numeric() with the corresponding utils::*numeric()
2020-08-29 20:31:02 -04:00
angle_cross.h
update packages USER-SPH, USER-SMTBQ, USER-SDPD, USER-TALLY, USER-UEF, USER-YAFF
2019-07-09 16:11:25 -04:00
angle_mm3.cpp
replace calls to force->*numeric() with the corresponding utils::*numeric()
2020-08-29 20:31:02 -04:00
angle_mm3.h
update packages USER-SPH, USER-SMTBQ, USER-SDPD, USER-TALLY, USER-UEF, USER-YAFF
2019-07-09 16:11:25 -04:00
bond_mm3.cpp
replace calls to force->*numeric() with the corresponding utils::*numeric()
2020-08-29 20:31:02 -04:00
bond_mm3.h
update packages USER-SPH, USER-SMTBQ, USER-SDPD, USER-TALLY, USER-UEF, USER-YAFF
2019-07-09 16:11:25 -04:00
improper_distharm.cpp
replace calls to force->*numeric() with the corresponding utils::*numeric()
2020-08-29 20:31:02 -04:00
improper_distharm.h
update packages USER-SPH, USER-SMTBQ, USER-SDPD, USER-TALLY, USER-UEF, USER-YAFF
2019-07-09 16:11:25 -04:00
improper_sqdistharm.cpp
replace calls to force->*numeric() with the corresponding utils::*numeric()
2020-08-29 20:31:02 -04:00
improper_sqdistharm.h
update packages USER-SPH, USER-SMTBQ, USER-SDPD, USER-TALLY, USER-UEF, USER-YAFF
2019-07-09 16:11:25 -04:00
pair_lj_switch3_coulgauss_long.cpp
replace calls to force->*numeric() with the corresponding utils::*numeric()
2020-08-29 20:31:02 -04:00
pair_lj_switch3_coulgauss_long.h
use correct pair style name in comment about error messages
2019-01-22 12:33:17 -05:00
pair_mm3_switch3_coulgauss_long.cpp
replace calls to force->*numeric() with the corresponding utils::*numeric()
2020-08-29 20:31:02 -04:00
pair_mm3_switch3_coulgauss_long.h
use correct pair style name in comment about error messages
2019-01-22 12:33:17 -05:00
README
Update DOI resolver
2020-03-12 16:53:24 +09:00

README 

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