ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

whitespace

Browse Source
This commit is contained in:
Axel Kohlmeyer
2023-01-12 23:00:52 -05:00
parent f27c7a9135
commit b97a0c62e4
2 changed files with 3 additions and 3 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
doc/src/fix_neb.rst
View File

@ -126,7 +126,7 @@ Note that the *ideal* form of nudging can often be more effective at
keeping the replicas equally spaced.
With a value of *equal* the spring force is computed as for *ideal*
before the climbing stage, then is computed to promote equidistant
before the climbing stage, then is computed to promote equidistant
spacing in energy rather than distance:
.. math::

4
doc/src/neb.rst
View File

@ -350,9 +350,9 @@ ReplicaForce is the two-norm of the 3N-length force vector (including
nudging forces) for replica *i*. MaxAtomForce is the maximum force
component of any atom in replica *i*.
Alternatively, a restricted print out can be obtained by adding the
Alternatively, a restricted print out can be obtained by adding the
*terse* keyword, which omits per-replica information. This typically
fits on one line of a command terminal, aiding visual inspection of
fits on one line of a command terminal, aiding visual inspection of
an ongoing NEB calculation.
When a NEB calculation does not converge properly, the supplementary