From 3769f9077f4a89524b5782fb5646efb23848ee7d Mon Sep 17 00:00:00 2001
From: sjplimp
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
+fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
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
+fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
Output info:
diff --git a/doc/html/compute_com_chunk.html b/doc/html/compute_com_chunk.html index f18084b1b9..6967998f69 100644 --- a/doc/html/compute_com_chunk.html +++ b/doc/html/compute_com_chunk.html @@ -178,7 +178,7 @@ calculation to a file is to use thecompute 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
+fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
Output info:
diff --git a/doc/html/compute_dipole_chunk.html b/doc/html/compute_dipole_chunk.html index 82317cf95d..55452e3a0f 100644 --- a/doc/html/compute_dipole_chunk.html +++ b/doc/html/compute_dipole_chunk.html @@ -183,7 +183,7 @@ calculation to a file is to use thecompute 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
+fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
Output info:
diff --git a/doc/html/compute_inertia_chunk.html b/doc/html/compute_inertia_chunk.html index ac29221054..b93575cfc5 100644 --- a/doc/html/compute_inertia_chunk.html +++ b/doc/html/compute_inertia_chunk.html @@ -179,7 +179,7 @@ calculation to a file is to use thecompute 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
+fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
Output info:
diff --git a/doc/html/compute_msd_chunk.html b/doc/html/compute_msd_chunk.html index 0aba6d8d95..86215724b3 100644 --- a/doc/html/compute_msd_chunk.html +++ b/doc/html/compute_msd_chunk.html @@ -215,7 +215,7 @@ calculation to a file is to use thecompute cc1 all chunk/atom molecule
compute myChunk all com/msd cc1
-fix 1 all ave/time 100 1 100 c_myChunk file tmp.out mode vector
+fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
Output info:
diff --git a/doc/html/compute_omega_chunk.html b/doc/html/compute_omega_chunk.html index 47b39d5623..7abc60a788 100644 --- a/doc/html/compute_omega_chunk.html +++ b/doc/html/compute_omega_chunk.html @@ -178,11 +178,11 @@ how they are set for each atom. You can reset the image flagsThe simplest way to output the results of the compute omega/chunk calculation to a file is to use the fix ave/time command, for example:
--compute cc1 all chunk/atom molecule -compute myChunk all omega/chunk cc1 -fix 1 all ave/time 100 1 100 c_myChunk* file tmp.out mode vector -+
compute cc1 all chunk/atom molecule
+compute myChunk all omega/chunk cc1
+fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
+Output info:
This compute calculates a global array where the number of rows = the number of chunks Nchunk as calculated by the specified compute chunk/atom command. The number of columns = diff --git a/doc/html/compute_property_chunk.html b/doc/html/compute_property_chunk.html index 73abeb96ac..2012335a47 100644 --- a/doc/html/compute_property_chunk.html +++ b/doc/html/compute_property_chunk.html @@ -193,9 +193,9 @@ will be in unitless reduced units (0-1).
calculation to a file is to use the fix ave/time command, for example:compute cc1 all chunk/atom molecule
-compute myChunk1 all property/chunk cc1
+compute myChunk1 all property/chunk cc1 count
compute myChunk2 all com/chunk cc1
-fix 1 all ave/time 100 1 100 c_myChunk1 c_myChunk2 file tmp.out mode vector
+fix 1 all ave/time 100 1 100 c_myChunk1 c_myChunk2[*] file tmp.out mode vector
Output info:
diff --git a/doc/html/compute_torque_chunk.html b/doc/html/compute_torque_chunk.html index fb17297e21..924030c28b 100644 --- a/doc/html/compute_torque_chunk.html +++ b/doc/html/compute_torque_chunk.html @@ -179,7 +179,7 @@ calculation to a file is to use thecompute cc1 all chunk/atom molecule
compute myChunk all torque/chunk cc1
-fix 1 all ave/time 100 1 100 c_myChunk file tmp.out mode vector
+fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
Output info:
diff --git a/doc/html/compute_vcm_chunk.html b/doc/html/compute_vcm_chunk.html index 9672e1f90d..99ed48375e 100644 --- a/doc/html/compute_vcm_chunk.html +++ b/doc/html/compute_vcm_chunk.html @@ -169,7 +169,7 @@ calculation to a file is to use thecompute cc1 all chunk/atom molecule
compute myChunk all vcm/chunk cc1
-fix 1 all ave/time 100 1 100 c_myChunk file tmp.out mode vector
+fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector
Output info:
diff --git a/doc/src/Section_howto.txt b/doc/src/Section_howto.txt index d88ab0c2de..a680b24529 100644 --- a/doc/src/Section_howto.txt +++ b/doc/src/Section_howto.txt @@ -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: diff --git a/doc/src/compute_angmom_chunk.txt b/doc/src/compute_angmom_chunk.txt index e1cd19b0c1..97722c935d 100644 --- a/doc/src/compute_angmom_chunk.txt +++ b/doc/src/compute_angmom_chunk.txt @@ -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:] diff --git a/doc/src/compute_com_chunk.txt b/doc/src/compute_com_chunk.txt index 3acd66bf47..b7b367e01a 100644 --- a/doc/src/compute_com_chunk.txt +++ b/doc/src/compute_com_chunk.txt @@ -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:] diff --git a/doc/src/compute_dipole_chunk.txt b/doc/src/compute_dipole_chunk.txt index 9c90608b00..0d2a8011e2 100644 --- a/doc/src/compute_dipole_chunk.txt +++ b/doc/src/compute_dipole_chunk.txt @@ -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:] diff --git a/doc/src/compute_inertia_chunk.txt b/doc/src/compute_inertia_chunk.txt index 5666016117..6f28ed0aa5 100644 --- a/doc/src/compute_inertia_chunk.txt +++ b/doc/src/compute_inertia_chunk.txt @@ -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:] diff --git a/doc/src/compute_msd_chunk.txt b/doc/src/compute_msd_chunk.txt index d5a453ac19..8d3ba07857 100644 --- a/doc/src/compute_msd_chunk.txt +++ b/doc/src/compute_msd_chunk.txt @@ -97,7 +97,7 @@ command, for example: compute cc1 all chunk/atom molecule compute myChunk all com/msd 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:] diff --git a/doc/src/compute_omega_chunk.txt b/doc/src/compute_omega_chunk.txt index c46184212f..8c09cecfce 100644 --- a/doc/src/compute_omega_chunk.txt +++ b/doc/src/compute_omega_chunk.txt @@ -64,7 +64,7 @@ command, for example: compute cc1 all chunk/atom molecule compute myChunk all omega/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:] diff --git a/doc/src/compute_property_chunk.txt b/doc/src/compute_property_chunk.txt index 4fb14ba4d3..c10fe56455 100644 --- a/doc/src/compute_property_chunk.txt +++ b/doc/src/compute_property_chunk.txt @@ -86,9 +86,9 @@ calculation to a file is to use the "fix ave/time"_fix_ave_time.html command, for example: compute cc1 all chunk/atom molecule -compute myChunk1 all property/chunk cc1 +compute myChunk1 all property/chunk cc1 count compute myChunk2 all com/chunk cc1 -fix 1 all ave/time 100 1 100 c_myChunk1 c_myChunk2 file tmp.out mode vector :pre +fix 1 all ave/time 100 1 100 c_myChunk1 c_myChunk2\[*\] file tmp.out mode vector :pre [Output info:] diff --git a/doc/src/compute_torque_chunk.txt b/doc/src/compute_torque_chunk.txt index 012c55813a..7d14dab2ac 100644 --- a/doc/src/compute_torque_chunk.txt +++ b/doc/src/compute_torque_chunk.txt @@ -63,7 +63,7 @@ command, for example: compute cc1 all chunk/atom molecule compute myChunk all torque/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:] diff --git a/doc/src/compute_vcm_chunk.txt b/doc/src/compute_vcm_chunk.txt index c507927c5d..0b9154713f 100644 --- a/doc/src/compute_vcm_chunk.txt +++ b/doc/src/compute_vcm_chunk.txt @@ -54,7 +54,7 @@ command, for example: compute cc1 all chunk/atom molecule compute myChunk all vcm/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:]