Revert "reduced precision of ves regtests"

This reverts commit 272ff40.
plumed · Nov 29, 2023 · 569a668 · 569a668
1 parent 272ff40
commit 569a668
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Showing 16 changed files with 2,523 additions and 2,523 deletions.
diff --git a/regtest/ves/rt-bf-combined/bf.derivs.data.reference b/regtest/ves/rt-bf-combined/bf.derivs.data.reference
diff --git a/regtest/ves/rt-bf-combined/bf.targetdist-averages.data.reference b/regtest/ves/rt-bf-combined/bf.targetdist-averages.data.reference
@@ -33,9 +33,9 @@
 #! SET ncoeffs_total  21
 #! SET shape_arg  21
        0      1.000000       0  1
-       1     -0.000000       1  cos(1*s)
+       1      0.000000       1  cos(1*s)
        2      0.000000       2  cos(2*s)
-       3     -0.000000       3  cos(3*s)
+       3      0.000000       3  cos(3*s)
        4      0.000000       4  cos(4*s)
        5     -0.000000       5  cos(5*s)
        6      0.000000       6  cos(6*s)
@@ -47,8 +47,8 @@
       12      0.000000      12  sin(2*s)
       13      0.000000      13  sin(3*s)
       14     -0.000000      14  sin(4*s)
-      15     -0.000000      15  sin(5*s)
-      16      0.000000      16  sin(6*s)
+      15      0.000000      15  sin(5*s)
+      16     -0.000000      16  sin(6*s)
       17      0.000000      17  sin(7*s)
       18      0.000000      18  sin(8*s)
       19     -0.000000      19  sin(9*s)
@@ -75,13 +75,13 @@
       11     -0.000000      11  sin(1*s)
       12     -0.000000      12  sin(2*s)
       13      0.000000      13  sin(3*s)
-      14     -0.000000      14  sin(4*s)
-      15     -0.000000      15  sin(5*s)
-      16      0.000000      16  sin(6*s)
-      17     -0.000000      17  sin(7*s)
-      18     -0.000000      18  sin(8*s)
-      19     -0.000000      19  sin(9*s)
-      20     -0.000000      20  sin(10*s)
+      14      0.000000      14  sin(4*s)
+      15      0.000000      15  sin(5*s)
+      16     -0.000000      16  sin(6*s)
+      17      0.000000      17  sin(7*s)
+      18      0.000000      18  sin(8*s)
+      19      0.000000      19  sin(9*s)
+      20      0.000000      20  sin(10*s)
 #!-------------------
 
 

diff --git a/regtest/ves/rt-bf-combined/bf.values.data.reference b/regtest/ves/rt-bf-combined/bf.values.data.reference
diff --git a/regtest/ves/rt-bf-combined/bf2.derivs.data.reference b/regtest/ves/rt-bf-combined/bf2.derivs.data.reference
diff --git a/regtest/ves/rt-bf-combined/bf2.targetdist-averages.data.reference b/regtest/ves/rt-bf-combined/bf2.targetdist-averages.data.reference
@@ -43,36 +43,36 @@
 #! SET ncoeffs_total  31
 #! SET shape_arg  31
        0      1.000000       0  1
-       1      0.001669       1  cos(1*s)
-       2     -0.001669       2  cos(2*s)
-       3      0.001669       3  cos(3*s)
-       4     -0.001669       4  cos(4*s)
-       5      0.001669       5  cos(5*s)
-       6     -0.001669       6  cos(6*s)
-       7      0.001669       7  cos(7*s)
-       8     -0.001669       8  cos(8*s)
-       9      0.001669       9  cos(9*s)
-      10     -0.001669      10  cos(10*s)
+       1     -0.000000       1  cos(1*s)
+       2      0.000000       2  cos(2*s)
+       3      0.000000       3  cos(3*s)
+       4      0.000000       4  cos(4*s)
+       5     -0.000000       5  cos(5*s)
+       6      0.000000       6  cos(6*s)
+       7     -0.000000       7  cos(7*s)
+       8      0.000000       8  cos(8*s)
+       9     -0.000000       9  cos(9*s)
+      10      0.000000      10  cos(10*s)
       11     -0.000000      11  sin(1*s)
-      12     -0.000000      12  sin(2*s)
-      13      0.000000      13  sin(3*s)
+      12      0.000000      12  sin(2*s)
+      13     -0.000000      13  sin(3*s)
       14      0.000000      14  sin(4*s)
       15     -0.000000      15  sin(5*s)
       16     -0.000000      16  sin(6*s)
       17      0.000000      17  sin(7*s)
-      18     -0.000000      18  sin(8*s)
+      18      0.000000      18  sin(8*s)
       19     -0.000000      19  sin(9*s)
       20      0.000000      20  sin(10*s)
-      21     -0.001669      21  L1(s)
-      22     -0.001658      22  L2(s)
-      23     -0.001669      23  L3(s)
-      24     -0.001632      24  L4(s)
-      25     -0.001669      25  L5(s)
-      26     -0.001592      26  L6(s)
-      27     -0.001669      27  L7(s)
-      28     -0.001536      28  L8(s)
-      29     -0.001669      29  L9(s)
-      30     -0.001465      30  L10(s)
+      21      0.000000      21  L1(s)
+      22      0.000011      22  L2(s)
+      23      0.000000      23  L3(s)
+      24      0.000037      24  L4(s)
+      25      0.000000      25  L5(s)
+      26      0.000078      26  L6(s)
+      27      0.000000      27  L7(s)
+      28      0.000133      28  L8(s)
+      29      0.000000      29  L9(s)
+      30      0.000204      30  L10(s)
 #!-------------------
 
 
@@ -95,18 +95,18 @@
       11     -0.000000      11  sin(1*s)
       12     -0.000000      12  sin(2*s)
       13      0.000000      13  sin(3*s)
-      14     -0.000000      14  sin(4*s)
-      15     -0.000000      15  sin(5*s)
-      16      0.000000      16  sin(6*s)
-      17     -0.000000      17  sin(7*s)
-      18     -0.000000      18  sin(8*s)
-      19     -0.000000      19  sin(9*s)
-      20     -0.000000      20  sin(10*s)
+      14      0.000000      14  sin(4*s)
+      15      0.000000      15  sin(5*s)
+      16     -0.000000      16  sin(6*s)
+      17      0.000000      17  sin(7*s)
+      18      0.000000      18  sin(8*s)
+      19      0.000000      19  sin(9*s)
+      20      0.000000      20  sin(10*s)
       21      0.000000      21  L1(s)
       22     -0.476563      22  L2(s)
-      23      0.000000      23  L3(s)
+      23     -0.000000      23  L3(s)
       24      0.319611      24  L4(s)
-      25     -0.000000      25  L5(s)
+      25      0.000000      25  L5(s)
       26     -0.223554      26  L6(s)
       27     -0.000000      27  L7(s)
       28      0.154228      28  L8(s)