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

update variable syntax in several example input scripts

Browse Source
This commit is contained in:
Steve Plimpton
2023-08-22 15:52:47 -06:00
parent dd6b847a5c
commit ad33a018f4
4 changed files with 8 additions and 8 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
examples/snap/in.snap.compute
View File

@ -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

2
examples/snap/in.snap.compute.quadratic
View File

@ -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

8
examples/voronoi/in.voronoi
View File

@ -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

4
examples/voronoi/in.voronoi.data
View File

@ -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