Add more regtest for drr module.

regtest/drr/rt-pmf1d/Makefile

+include ../../scripts/test.make

regtest/drr/rt-pmf1d/config

+type=driver
+plumed_needs=boost_serialization
+plumed_modules=drr
+arg="--plumed plumed.dat --trajectory-stride 1 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f"
+extra_files="../../trajectories/trajectory.xyz"

regtest/drr/rt-pmf1d/eabf_dist.UI.count.reference

+# 1
+# -1.00000000000000000 1.00000000000000000 7 0
+
+-0.500000000 0 
+0.500000000 0 
+1.500000000 4 
+2.500000000 0 
+3.500000000 0 
+4.500000000 0 
+5.500000000 0 
+

regtest/drr/rt-pmf1d/eabf_dist.UI.grad.reference

+# 1
+# -1.00000000000000000 1.00000000000000000 7 0
+
+-0.500000000 0.000000000 
+0.500000000 0.000000000 
+1.500000000 53.438807842 
+2.500000000 0.000000000 
+3.500000000 0.000000000 
+4.500000000 0.000000000 
+5.500000000 0.000000000 
+

regtest/drr/rt-pmf1d/eabf_dist.UI.hist.grad.reference

+# 1
+# -1.00000000000000000 1.00000000000000000 7 0
+
+-0.500000000 0.000000000 
+0.500000000 0.000000000 
+1.500000000 0.000000000 
+2.500000000 0.000000000 
+3.500000000 0.000000000 
+4.500000000 0.000000000 
+5.500000000 0.000000000 
+
+# 1
+# -1.00000000000000000 1.00000000000000000 7 0
+
+-0.500000000 0.000000000 
+0.500000000 0.000000000 
+1.500000000 692.508883276 
+2.500000000 0.000000000 
+3.500000000 0.000000000 
+4.500000000 0.000000000 
+5.500000000 0.000000000 
+
+# 1
+# -1.00000000000000000 1.00000000000000000 7 0
+
+-0.500000000 0.000000000 
+0.500000000 0.000000000 
+1.500000000 53.438807842 
+2.500000000 0.000000000 
+3.500000000 0.000000000 
+4.500000000 0.000000000 
+5.500000000 0.000000000 
+

regtest/drr/rt-pmf1d/eabf_dist.UI.pmf.reference

+-1 0
+0 0
+1 0
+2 53.4388
+3 53.4388
+4 53.4388
+5 53.4388
+6 53.4388

regtest/drr/rt-pmf1d/eabf_dist.abf.count.reference

+# 1
+# -1.00000000000000000 1.00000000000000000 7 0
+ -0.500000000 0
+ 0.500000000 0
+ 1.500000000 4
+ 2.500000000 0
+ 3.500000000 0
+ 4.500000000 0
+ 5.500000000 0

regtest/drr/rt-pmf1d/eabf_dist.abf.grad.reference

+# 1
+# -1.00000000000000000 1.00000000000000000 7 0
+ -0.500000000 0.000000000
+ 0.500000000 0.000000000
+ 1.500000000 -0.496740662
+ 2.500000000 0.000000000
+ 3.500000000 0.000000000
+ 4.500000000 0.000000000
+ 5.500000000 0.000000000

regtest/drr/rt-pmf1d/eabf_dist.abf.pmf.reference

+-1.000000000 0.000000000
+0.000000000 0.000000000
+1.000000000 0.000000000
+2.000000000 -0.496740662
+3.000000000 -0.496740662
+4.000000000 -0.496740662
+5.000000000 -0.496740662
+6.000000000 -0.496740662

regtest/drr/rt-pmf1d/eabf_dist.czar.count.reference

+# 1
+# -1.00000000000000000 1.00000000000000000 7 0
+ -0.500000000 0
+ 0.500000000 0
+ 1.500000000 4
+ 2.500000000 0
+ 3.500000000 0
+ 4.500000000 0
+ 5.500000000 0

regtest/drr/rt-pmf1d/eabf_dist.czar.grad.reference

+# 1
+# -1.00000000000000000 1.00000000000000000 7 0
+ -0.500000000 0.000000000
+ 0.500000000 0.000000000
+ 1.500000000 -0.496740662
+ 2.500000000 0.000000000
+ 3.500000000 0.000000000
+ 4.500000000 0.000000000
+ 5.500000000 0.000000000

regtest/drr/rt-pmf1d/eabf_dist.czar.pmf.reference

+-1.000000000 0.000000000
+0.000000000 0.000000000
+1.000000000 0.000000000
+2.000000000 -0.496740662
+3.000000000 -0.496740662
+4.000000000 -0.496740662
+5.000000000 -0.496740662
+6.000000000 -0.496740662

regtest/drr/rt-pmf1d/plumed.dat

+d1: DISTANCE ATOMS=1,2
+eabf_dist: DRR ARG=d1 GRID_MIN=-1.0 GRID_MAX=6.0 GRID_SPACING=1.0 OUTPUTFREQ=2 TEMP=300 UIESTIMATOR KAPPA=5 TEXTOUTPUT