question - fix spring output

Hi all,

fix spring command computes a global scalar, and a global 4-vector.If I have understood it correctly, there are 5 values produced by this fix.

I’m using these commands to check all the possible outputs:

fix move Solidus spring tether 50.0 61 20 76 0.0

fix moving_ Solidus Solidus ave/time 5 50 500 f_moving_ Solidus f_moving_ Solidus[0] f_moving_ Solidus[1] f_moving_ Solidus[2] f_moving_ Solidus[3] f_moving_ Solidus[4] file tmp.moving

The output is this:

500 39658.4 39658.4 1991.44 0.0293623 -0.436902 1991.44
1000 39077.7 39077.7 1976.81 1.24989 -0.577366 1976.81
1500 38522.1 38522.1 1962.7 1.96544 -0.117806 1962.7
2000 38002.5 38002.5 1949.42 2.01857 0.389478 1949.42
2500 37523.9 37523.9 1937.11 2.10075 -0.167206 1937.11
3000 37005 37005 1923.67 1.81394 -0.325402 1923.67

In total, there are 4 parameters outputted. I’m a bit confused. Which one is the global scalar (the spring energy)? Where is the fifth one?
What should I do to output correctly?

Cheers
X

The vector values (for all fixes, computes, etc) are indexed 1 to N, not 0 to N-1. The

code is interpreting Solidus[0] as referring to the scalar,

when it should be throwing an error. Will fix that.

Steve