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multiscale
lammps
Commits
90caf001
Commit
90caf001
authored
6 years ago
by
Steve Plimpton
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fix doc page errors
parent
3b7ebbb8
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doc/src/fix_hyper_global.txt
+2
-2
2 additions, 2 deletions
doc/src/fix_hyper_global.txt
doc/src/fix_hyper_local.txt
+1
-1
1 addition, 1 deletion
doc/src/fix_hyper_local.txt
doc/src/hyper.txt
+2
-2
2 additions, 2 deletions
doc/src/hyper.txt
with
5 additions
and
5 deletions
doc/src/fix_hyper_global.txt
+
2
−
2
View file @
90caf001
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@@ -146,8 +146,8 @@ If {qfactor} is set too large, then transitions from one energy basin
to another are affected because the bias potential is non-zero at the
transition state (e.g. saddle point). If {qfactor} is set too small
than little boost is achieved because the Eij strain of some bond in
the system will (nearly) always exceed {qfactor
)
. A value of 0.3 for
{qfactor} is typically
a
reasonable
value
.
the system will (nearly) always exceed {qfactor
}
. A value of 0.3 for
{qfactor} is typically reasonable.
The {Vmax} argument is the prefactor on the bias potential. Ideally,
tt should be set to a value slightly less than the smallest barrier
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doc/src/fix_hyper_local.txt
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−
1
View file @
90caf001
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@@ -172,7 +172,7 @@ If {qfactor} is set too large, then transitions from one energy basin
to another are affected because the bias potential is non-zero at the
transition state (e.g. saddle point). If {qfactor} is set too small
than little boost can be achieved because the Eij strain of some bond in
the system will (nearly) always exceed {qfactor
)
. A value of 0.3 for
the system will (nearly) always exceed {qfactor
}
. A value of 0.3 for
{qfactor} is typically a reasonable value.
The {Vmax} argument is a fixed prefactor on the bias potential. There
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doc/src/hyper.txt
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2
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90caf001
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@@ -73,7 +73,7 @@ time between events is reduced by a factor of Nr replicas. For both
methods, per CPU second, more physical time elapses and more events
occur. See the "prd"_prd.html doc page for more info about PRD.
An HD run has several stages, which are repeated each time an
"
event
"
An HD run has several stages, which are repeated each time an event
occurs, as explained below. The logic for an HD run is as follows:
quench
...
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@@ -121,7 +121,7 @@ event/displace"_compute_event_displace.html command. Other
event-checking computes may be added. "Compute
event/displace"_compute_event_displace.html checks whether any atom in
the compute group has moved further than a specified threshold
distance. If so, an
"
event
"
has occurred.
distance. If so, an event has occurred.
If this happens, the list of bonds is reset, since some bond pairs
are likely now too far apart, and new pairs are likely close enough
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