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Errors when using the following latte.in file:
MDCONTROL{ MAXITER= -1 UDNEIGH= 25 DT= 0.25 TEMPERATURE= 300.00 RNDIST= GAUSSIAN SEEDINIT= UNIFORM DUMPFREQ= 100000 RSFREQ= 100000 WRTFREQ= 100000 TOINITTEMP5= 1 THERMPER= 500 THERMRUN= 50000 NVTON= 0 NPTON= 0 AVEPER= 1000 FRICTION= 1000.0 SEED= 54 PTARGET= 0.0 NPTTYPE= ISO SHOCKON= 0 SHOCKSTART= 100000 SHOCKDIR= 1 UPARTICLE= 500.0 USHOCK= -4590.0 C0= 1300.0 MDADAPT= 0 GETHUG= 0 E0= -795.725 V0= 896.984864 P0= 0.083149 }
instead of
MDCONTROL{ MAXITER= -1 }
This is an incompatibility between having the keywords for MD for the standalone latte code vs having an input to run latte via lammps.
The text was updated successfully, but these errors were encountered:
nfaguirrec
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Errors when using the following latte.in file:
MDCONTROL{
MAXITER= -1
UDNEIGH= 25
DT= 0.25
TEMPERATURE= 300.00 RNDIST= GAUSSIAN SEEDINIT= UNIFORM
DUMPFREQ= 100000
RSFREQ= 100000
WRTFREQ= 100000
TOINITTEMP5= 1
THERMPER= 500
THERMRUN= 50000
NVTON= 0 NPTON= 0 AVEPER= 1000 FRICTION= 1000.0 SEED= 54
PTARGET= 0.0 NPTTYPE= ISO
SHOCKON= 0
SHOCKSTART= 100000
SHOCKDIR= 1
UPARTICLE= 500.0 USHOCK= -4590.0 C0= 1300.0
MDADAPT= 0
GETHUG= 0 E0= -795.725 V0= 896.984864 P0= 0.083149
}
instead of
MDCONTROL{
MAXITER= -1
}
This is an incompatibility between having the keywords for MD for the standalone latte code vs having an input to run latte via lammps.
The text was updated successfully, but these errors were encountered: