Added shortcut to calculate DOPS order parameter

plumed · Sep 29, 2023 · 5fabfa1 · 5fabfa1
1 parent 0fe398e
commit 5fabfa1
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diff --git a/regtest/crystdistrib/rt-dops-forces/colvar.reference b/regtest/crystdistrib/rt-dops-forces/colvar.reference
@@ -1,4 +1,4 @@
 #! FIELDS time opf0 opf1 opf2 opf3 opf4 opf5 opf6 opf7
- 0.000000   6.9433  27.6362  14.9697  36.8257  11.3430  39.2925  19.4209  38.2635
- 0.025000   8.2701  25.1047  14.9222  35.9648   9.7691  37.7001  20.6153  38.1927
- 0.050000   9.8357  21.1581  14.1746  34.0344   8.7656  37.5896  17.8528  37.5282
+ 0.000000   6.9433  27.6363  14.9697  36.8257  11.3430  39.2925  19.4209  38.2635
+ 0.025000   8.2701  25.1048  14.9222  35.9648   9.7691  37.7001  20.6154  38.1927
+ 0.050000   9.8357  21.1581  14.1747  34.0344   8.7656  37.5897  17.8528  37.5282