TTSKETCH: strong optimisation of the contraction calculation

Author: carlocamilloni

regtest/ttsketch/rt-ttmetad-2/COLVAR.reference

@@ -0,0 +1,24 @@
+#! FIELDS time phi psi tt.bias
+#! SET min_phi -pi
+#! SET max_phi pi
+ 0.000000  -1.2379   1.9470   5.0125
+ 1.000000  -1.4839   1.9381   4.7386
+ 2.000000  -1.3243   1.9663   5.7173
+ 3.000000  -1.3340   1.9885   6.6124
+ 4.000000  -1.4613   1.8901   6.9762
+ 5.000000  -1.2202   2.0306   7.0226
+ 6.000000  -1.3883   1.8776   8.4608
+ 7.000000  -1.5481   1.9488   8.0675
+ 8.000000  -1.8429   1.9025   4.8013
+ 9.000000  -2.2424   1.9813   2.9942
+ 10.000000  -1.1482   1.9684   7.7028
+ 11.000000  -1.7580   1.9807   6.3092
+ 12.000000  -1.3186   1.9486   7.0545
+ 13.000000  -2.9911   1.9547  -0.0205
+ 14.000000  -1.4112   2.0415   7.6081
+ 15.000000  -2.5995   1.9166   2.0867
+ 16.000000  -1.4608   1.9433   8.5441
+ 17.000000  -1.3791   2.0625   8.9533
+ 18.000000  -1.6771   1.9433   8.4947
+ 19.000000  -1.5241   1.9642  10.3355
+ 20.000000  -1.1997   1.9296   9.0332

regtest/ttsketch/rt-ttmetad-2/HILLS

@@ -0,0 +1,4 @@
+#! FIELDS time phi psi sigma_phi sigma_psi height biasf
+#! SET min_phi -pi
+#! SET max_phi pi
+   20.000000   -1.199652    1.929639    0.200000    0.200000    1.119533   10.000000

regtest/ttsketch/rt-ttmetad-2/HILLS.reference

@@ -0,0 +1,4 @@
+#! FIELDS time phi psi sigma_phi sigma_psi height biasf
+#! SET min_phi -pi
+#! SET max_phi pi
+   20.000000   -1.199652    1.929639    0.200000    0.200000    0.956750   10.000000

regtest/ttsketch/rt-ttmetad-2/Makefile

@@ -0,0 +1 @@
+include ../../scripts/test.make

regtest/ttsketch/rt-ttmetad-2/config

@@ -0,0 +1,4 @@
+plumed_needs=libitensor
+plumed_modules=ttsketch
+type=driver
+arg="--plumed plumed.dat --trajectory-stride 500 --timestep 0.002 --igro traj.gro --dump-forces forces --dump-forces-fmt %.4lf"