Added regtest for lepton

regtest/basic/rt-lepton/Makefile

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

regtest/basic/rt-lepton/colvar.reference

+#! FIELDS time f1 f2 f3 f4 f5 f6 f7 f8 f9 f10 f11 f12 f13 f14 f15 f16 f17 f18 f19 f20 f21 f22 f23 f24 f25 f26 f30 f31 f32 f42 f43 f44 f46
+ 0.000000 1.000000 4.141593 2.000000 0.500000 1.000000 1.000000 3.718282 2.442695 1.434294 1.693147 3.302585 2.570796 1.785398 2.414214 2.718282 0.000000 1.000000 0.841471 0.540302 1.557408 0.642093 1.850816 1.188395 1.570796 0.000000 0.785398 1.175201 1.543081 0.761594 0.500000 1.000000 0.000000 0.842701
+ 1.000000 1.500000 4.641593 3.000000 0.750000 2.250000 1.224745 4.218282 2.942695 1.934294 2.193147 3.802585 3.070796 2.285398 2.914214 4.481689 0.405465 1.224745 0.997495 0.070737 14.101420 0.070915 14.136833 1.002511 nan nan 0.982794 2.129279 2.352410 0.905148 0.000000 1.000000 0.000000 0.966105
+ 2.000000 2.000000 5.141593 4.000000 1.000000 4.000000 1.414214 4.718282 3.442695 2.434294 2.693147 4.302585 3.570796 2.785398 3.414214 7.389056 0.693147 1.414214 0.909297 -0.416147 -2.185040 -0.457658 -2.402998 1.099750 nan nan 1.107149 3.626860 3.762196 0.964028 0.500000 1.000000 0.000000 0.995322

regtest/basic/rt-lepton/config

+type=driver
+# this is to test a different name
+arg="--plumed plumed.dat --ixyz traj.xyz --dump-forces forces --dump-forces-fmt=%10.6f"
+export PLUMED_USE_LEPTON=yes

regtest/basic/rt-lepton/der.reference

+#! FIELDS time parameter f1 f2 f3 f4 f5 f6 f7 f8 f9 f10 f11 f12 f13 f14 f15 f16 f17 f18 f19 f20 f21 f22 f23 f24 f25 f26 f30 f31 f32 f42 f43 f44 f46
+ 0.000000 0    1.0000000000    1.0000000000    2.0000000000    0.5000000000    2.0000000000    0.5000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    2.7182818285    1.0000000000    0.5000000000    0.5403023059   -0.8414709848    3.4255188208   -1.4122829274    2.8824746956   -0.7630597222             inf            -inf    0.5000000000    1.5430806348    1.1752011936    0.4199743416   -1.0000000000    0.0000000000    0.0000000000    0.4151074974
+ 1.000000 0    1.0000000000    1.0000000000    2.0000000000    0.5000000000    3.0000000000    0.4082482905    1.0000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    4.4816890703    0.6666666667    0.4082482905    0.0707372017   -0.9974949866  199.8500445265   -1.0050289151  199.3494174878   -0.0710929331             nan             nan    0.3076923077    2.3524096152    2.1292794551    0.1807066389    1.0000000000    0.0000000000    0.0000000000    0.1189302892
+ 2.000000 0    1.0000000000    1.0000000000    2.0000000000    0.5000000000    4.0000000000    0.3535533906    1.0000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    1.0000000000    7.3890560989    0.5000000000    0.3535533906   -0.4161468365   -0.9092974268    5.7743992040   -1.2094504371    5.2506463377    0.5033089733             nan             nan    0.2000000000    3.7621956911    3.6268604078    0.0706508249    1.0000000000    0.0000000000    0.0000000000    0.0206669854

regtest/basic/rt-lepton/plumed.dat

+a: DISTANCE ATOMS=1,2
+
+# commented functions are not implemented in lepton
+
+f1: MATHEVAL ARG=a FUNC={x+sin+sin(0); sin=0} PERIODIC=NO
+f2: MATHEVAL ARG=a FUNC=x+pi PERIODIC=NO
+f3: MATHEVAL ARG=a FUNC=x*2 PERIODIC=NO
+f4: MATHEVAL ARG=a FUNC=x/2 PERIODIC=NO
+f5: MATHEVAL ARG=a FUNC=x^2 PERIODIC=NO
+f6: MATHEVAL ARG=a FUNC=x^0.5 PERIODIC=NO
+f7: MATHEVAL ARG=a FUNC=x+e PERIODIC=NO
+f8: MATHEVAL ARG=a FUNC=x+log2e PERIODIC=NO
+f9: MATHEVAL ARG=a FUNC=x+log10e PERIODIC=NO
+f10: MATHEVAL ARG=a FUNC=x+ln2 PERIODIC=NO
+f11: MATHEVAL ARG=a FUNC=x+ln10 PERIODIC=NO
+f12: MATHEVAL ARG=a FUNC=x+pi_2 PERIODIC=NO
+f13: MATHEVAL ARG=a FUNC=x+pi_4 PERIODIC=NO
+f14: MATHEVAL ARG=a FUNC=x+sqrt2 PERIODIC=NO
+f15: MATHEVAL ARG=a FUNC=exp(x) PERIODIC=NO
+f16: MATHEVAL ARG=a FUNC=log(x) PERIODIC=NO
+f17: MATHEVAL ARG=a FUNC=sqrt(x) PERIODIC=NO
+f18: MATHEVAL ARG=a FUNC=sin(x) PERIODIC=NO
+f19: MATHEVAL ARG=a FUNC=cos(x) PERIODIC=NO
+f20: MATHEVAL ARG=a FUNC=tan(x) PERIODIC=NO
+f21: MATHEVAL ARG=a FUNC=cot(x) PERIODIC=NO
+f22: MATHEVAL ARG=a FUNC=sec(x) PERIODIC=NO
+f23: MATHEVAL ARG=a FUNC=csc(x) PERIODIC=NO
+f24: MATHEVAL ARG=a FUNC=asin(x) PERIODIC=NO
+f25: MATHEVAL ARG=a FUNC=acos(x) PERIODIC=NO
+f26: MATHEVAL ARG=a FUNC=atan(x) PERIODIC=NO
+# f27: MATHEVAL ARG=a FUNC=acot(x) PERIODIC=NO
+# f28: MATHEVAL ARG=a FUNC=asec(x) PERIODIC=NO
+# f29: MATHEVAL ARG=a FUNC=acsc(x) PERIODIC=NO
+f30: MATHEVAL ARG=a FUNC=sinh(x) PERIODIC=NO
+f31: MATHEVAL ARG=a FUNC=cosh(x) PERIODIC=NO
+f32: MATHEVAL ARG=a FUNC=tanh(x) PERIODIC=NO
+# f33: MATHEVAL ARG=a FUNC=coth(x) PERIODIC=NO
+# f34: MATHEVAL ARG=a FUNC=sech(x) PERIODIC=NO
+# f35: MATHEVAL ARG=a FUNC=csch(x) PERIODIC=NO
+# f36: MATHEVAL ARG=a FUNC=asinh(x) PERIODIC=NO
+# f37: MATHEVAL ARG=a FUNC=acosh(x) PERIODIC=NO
+# f38: MATHEVAL ARG=a FUNC=atanh(x) PERIODIC=NO
+# f39: MATHEVAL ARG=a FUNC=acoth(x) PERIODIC=NO
+# f40: MATHEVAL ARG=a FUNC=asech(x) PERIODIC=NO
+# f41: MATHEVAL ARG=a FUNC=acsch(x) PERIODIC=NO
+f42: MATHEVAL ARG=a FUNC=abs(x-1.5) PERIODIC=NO
+f43: MATHEVAL ARG=a FUNC=step(x) PERIODIC=NO
+f44: MATHEVAL ARG=a FUNC=delta(x) PERIODIC=NO
+# f45: MATHEVAL ARG=a FUNC=nandelta(x) PERIODIC=NO
+f46: MATHEVAL ARG=a FUNC=erf(x) PERIODIC=NO
+
+c1: CONSTANT VALUE=pi    # this uses the ad hoc plumed implementation (no lepton)
+c2: CONSTANT VALUE=0.5pi # this uses the ad hoc plumed implementation (no lepton)
+c3: CONSTANT VALUE=pi+2
+c4: CONSTANT VALUE=sin(1.0)
+
+
+DUMPDERIVATIVES ARG=(f.*) FILE=der
+
+PRINT ARG=(f.*) FILE=colvar
+PRINT ARG=(c.*) FILE=colvarc
+
+

regtest/basic/rt-lepton/traj.xyz

+2
+0 0 0
+X 0 0 0
+X 0 0 1
+2
+0 0 0
+X 0 0 0
+X 0 0 1.5
+2
+0 0 0
+X 0 0 0
+X 0 0 2