Commit 29e480ad authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

corrections for various compute something/chunk examples

parent 7c01ef57
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@@ -2297,7 +2297,7 @@ fix 1 all ave/chunk 100 10 1000 cc1 temp bias vbias file tmp.out :pre

compute cc1 all chunk/atom molecule
compute myChunk all com/chunk cc1
fix 1 all ave/time 100 1 100 c_myChunk file tmp.out mode vector :pre
fix 1 all ave/time 100 1 100 c_myChunk\[*\] file tmp.out mode vector :pre

(4) Total force on each molecule and ave/max across all molecules:

+1 −1
Original line number Diff line number Diff line
@@ -64,7 +64,7 @@ command, for example:

compute cc1 all chunk/atom molecule
compute myChunk all angmom/chunk cc1
fix 1 all ave/time 100 1 100 c_myChunk file tmp.out mode vector :pre
fix 1 all ave/time 100 1 100 c_myChunk\[*\] file tmp.out mode vector :pre

[Output info:]

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@@ -62,7 +62,7 @@ command, for example:

compute cc1 all chunk/atom molecule
compute myChunk all com/chunk cc1
fix 1 all ave/time 100 1 100 c_myChunk file tmp.out mode vector :pre
fix 1 all ave/time 100 1 100 c_myChunk\[*\] file tmp.out mode vector :pre

[Output info:]

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Original line number Diff line number Diff line
@@ -67,7 +67,7 @@ command, for example:

compute cc1 all chunk/atom molecule
compute myChunk all dipole/chunk cc1
fix 1 all ave/time 100 1 100 c_myChunk file tmp.out mode vector :pre
fix 1 all ave/time 100 1 100 c_myChunk\[*\] file tmp.out mode vector :pre

[Output info:]

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Original line number Diff line number Diff line
@@ -63,7 +63,7 @@ command, for example:

compute cc1 all chunk/atom molecule
compute myChunk all inertia/chunk cc1
fix 1 all ave/time 100 1 100 c_myChunk file tmp.out mode vector :pre
fix 1 all ave/time 100 1 100 c_myChunk\[*\] file tmp.out mode vector :pre

[Output info:]

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