Unverified Commit 18837887 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

update SNAP package inputs and reference logs to give consistent results in serial and parallel

parent 47b589bd

examples/snap/in.snap.Mo_Chen

+1 −1
Changes for examples/snap/in.snap.Mo_Chen: 1 added line, 1 removed line.
Original line number Diff line number Diff line
@@ -39,7 +39,7 @@ neigh_modify once no every 1 delay 0 check yes 


# Run MD



velocity all create 300.0 4928459

velocity all create 300.0 4928459 loop geom

fix 1 all nve

run             ${nsteps}

examples/snap/in.snap.Ta06A

+1 −1
Changes for examples/snap/in.snap.Ta06A: 1 added line, 1 removed line.
Original line number Diff line number Diff line
@@ -39,7 +39,7 @@ neigh_modify once no every 1 delay 0 check yes 


# Run MD



velocity all create 300.0 4928459

velocity all create 300.0 4928459 loop geom

fix 1 all nve

run             ${nsteps}

examples/snap/in.snap.W.2940

+1 −1
Changes for examples/snap/in.snap.W.2940: 1 added line, 1 removed line.
Original line number Diff line number Diff line
@@ -39,7 +39,7 @@ neigh_modify once no every 1 delay 0 check yes 


# Run MD



velocity all create 300.0 4928459

velocity all create 300.0 4928459 loop geom

fix 1 all nve

run             ${nsteps}

examples/snap/in.snap.WBe.PRB2019

+1 −1
Changes for examples/snap/in.snap.WBe.PRB2019: 1 added line, 1 removed line.
Original line number Diff line number Diff line
@@ -42,7 +42,7 @@ neigh_modify once no every 1 delay 0 check yes 


# Run MD



velocity all create 300.0 4928459

velocity all create 300.0 4928459 loop geom

fix 1 all nve

run             ${nsteps}

examples/snap/in.snap.hybrid.WSNAP.HePair

+1 −1
Changes for examples/snap/in.snap.hybrid.WSNAP.HePair: 1 added line, 1 removed line.
Original line number Diff line number Diff line
@@ -42,7 +42,7 @@ neigh_modify once no every 1 delay 0 check yes 


# Run MD



velocity all create 300.0 4928459

velocity all create 300.0 4928459 loop geom

fix 1 all nve

run             ${nsteps}

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