From ad33a018f48f228f4d4b9f5815c85a93bd25663f Mon Sep 17 00:00:00 2001 From: Steve Plimpton Date: Tue, 22 Aug 2023 15:52:47 -0600 Subject: [PATCH] update variable syntax in several example input scripts --- examples/snap/in.snap.compute | 2 +- examples/snap/in.snap.compute.quadratic | 2 +- examples/voronoi/in.voronoi | 8 ++++---- examples/voronoi/in.voronoi.data | 4 ++-- 4 files changed, 8 insertions(+), 8 deletions(-) diff --git a/examples/snap/in.snap.compute b/examples/snap/in.snap.compute index b0c7314882..8d2ffe8b96 100644 --- a/examples/snap/in.snap.compute +++ b/examples/snap/in.snap.compute @@ -70,7 +70,7 @@ compute bsum2 snapgroup2 reduce sum c_b[*] # fix bsum2 all ave/time 1 1 1 c_bsum2 file bsum2.dat mode vector compute vbsum all reduce sum c_vb[*] # fix vbsum all ave/time 1 1 1 c_vbsum file vbsum.dat mode vector -variable db_2_25 equal c_db[2][25] +variable db_2_25 equal C_db[2][25] # set up compute snap generating global array diff --git a/examples/snap/in.snap.compute.quadratic b/examples/snap/in.snap.compute.quadratic index e03d4af3bf..20d5ed3039 100644 --- a/examples/snap/in.snap.compute.quadratic +++ b/examples/snap/in.snap.compute.quadratic @@ -70,7 +70,7 @@ compute bsum2 snapgroup2 reduce sum c_b[*] # fix bsum2 all ave/time 1 1 1 c_bsum2 file bsum2.dat mode vector compute vbsum all reduce sum c_vb[*] # fix vbsum all ave/time 1 1 1 c_vbsum file vbsum.dat mode vector -variable db_2_100 equal c_db[2][100] +variable db_2_100 equal C_db[2][100] # set up compute snap generating global array diff --git a/examples/voronoi/in.voronoi b/examples/voronoi/in.voronoi index 5254969fbd..79b6c6efec 100644 --- a/examples/voronoi/in.voronoi +++ b/examples/voronoi/in.voronoi @@ -146,10 +146,10 @@ variable i2 equal 257 compute v1 all voronoi/atom occupation compute r0 all reduce sum c_v1[1] compute r1 all reduce sum c_v1[2] -variable d5a equal c_v1[${i1}][1] -variable d5b equal c_v1[${i2}][1] -variable d5c equal c_v1[${i1}][2] -variable d5d equal c_v1[${i2}][2] +variable d5a equal C_v1[${i1}][1] +variable d5b equal C_v1[${i2}][1] +variable d5c equal C_v1[${i1}][2] +variable d5d equal C_v1[${i2}][2] thermo_style custom c_r0 c_r1 v_d5a v_d5b v_d5c v_d5d run 0 diff --git a/examples/voronoi/in.voronoi.data b/examples/voronoi/in.voronoi.data index 853c2c2bd1..da00b44e09 100644 --- a/examples/voronoi/in.voronoi.data +++ b/examples/voronoi/in.voronoi.data @@ -67,7 +67,7 @@ undump dlocal # local and global quantities, but # not per-atom quantities -compute v2 all voronoi/atom neighbors yes edge_histo 6 peratom no +compute v2 all voronoi/atom neighbors yes edge_histo 6 # write voronoi local quantities to a file @@ -75,7 +75,7 @@ dump d2 all local 1 dump.neighbors2 index c_v2[1] c_v2[2] c_v2[3] # sum up a voronoi local quantity -compute sumarea all reduce sum c_v2[3] +compute sumarea all reduce sum c_v2[3] inputs local # output voronoi global quantities