Skip to content
Snippets Groups Projects
Commit 6f3fd373 authored by Giovanni Bussi's avatar Giovanni Bussi
Browse files

fixed regtests 

See #399
parent 4f709055
No related branches found
No related tags found
No related merge requests found
Hide whitespace changes
Inline Side-by-side
regtest/basic/rt67-mpi/COLVAR.reference
+ 10
− 10
View file @ 6f3fd373
...@@ -14,13 +14,13 @@ ...@@ -14,13 +14,13 @@
8.000000 -1.8429 1.3293 0.6692 0.5800 0.1025 8.000000 -1.8429 1.3293 0.6692 0.5800 0.1025
9.000000 -2.2424 2.6059 0.0000 -0.1025 0.1109 9.000000 -2.2424 2.6059 0.0000 -0.1025 0.1109
10.000000 -1.1482 0.5350 1.8435 1.7326 0.1281 10.000000 -1.1482 0.5350 1.8435 1.7326 0.1281
11.000000 -1.7580 2.0752 0.0012 -0.1269 0.1367 11.000000 -1.7580 2.0752 0.0012 -0.1269 0.1368
12.000000 -1.3186 3.0997 0.0000 -0.1367 0.1443 12.000000 -1.3186 3.0997 0.0000 -0.1368 0.1451
13.000000 -2.9911 2.8991 0.0000 -0.1443 0.1524 13.000000 -2.9911 2.8991 0.0000 -0.1451 0.1534
14.000000 -1.4112 0.0028 0.0285 -0.1239 0.1614 14.000000 -1.4112 0.0028 0.0285 -0.1250 0.1625
15.000000 -2.5995 2.6683 0.3230 0.1616 0.1714 15.000000 -2.5995 2.6683 0.3230 0.1606 0.1725
16.000000 -1.4608 0.2622 0.9676 0.7962 0.1856 16.000000 -1.4608 0.2622 0.9676 0.7951 0.1867
17.000000 -1.3791 1.1576 3.0484 2.8628 0.2090 17.000000 -1.3791 1.1576 3.0484 2.8617 0.2101
18.000000 -1.6771 0.9078 1.5947 1.3857 0.2309 18.000000 -1.6771 0.9078 1.5947 1.3846 0.2320
19.000000 -1.5241 1.2623 4.1823 3.9513 0.2607 19.000000 -1.5241 1.2623 4.1823 3.9503 0.2617
20.000000 -1.1997 0.9529 3.1902 2.9295 0.2924 20.000000 -1.1997 0.9529 3.1902 2.9285 0.2935
regtest/basic/rt67/COLVAR.reference
+ 10
− 10
View file @ 6f3fd373
...@@ -14,13 +14,13 @@ ...@@ -14,13 +14,13 @@
8.000000 -1.8429 1.3293 0.6692 0.5800 0.1025 8.000000 -1.8429 1.3293 0.6692 0.5800 0.1025
9.000000 -2.2424 2.6059 0.0000 -0.1025 0.1109 9.000000 -2.2424 2.6059 0.0000 -0.1025 0.1109
10.000000 -1.1482 0.5350 1.8435 1.7326 0.1281 10.000000 -1.1482 0.5350 1.8435 1.7326 0.1281
11.000000 -1.7580 2.0752 0.0012 -0.1269 0.1367 11.000000 -1.7580 2.0752 0.0012 -0.1269 0.1368
12.000000 -1.3186 3.0997 0.0000 -0.1367 0.1443 12.000000 -1.3186 3.0997 0.0000 -0.1368 0.1451
13.000000 -2.9911 2.8991 0.0000 -0.1443 0.1524 13.000000 -2.9911 2.8991 0.0000 -0.1451 0.1534
14.000000 -1.4112 0.0028 0.0285 -0.1239 0.1614 14.000000 -1.4112 0.0028 0.0285 -0.1250 0.1625
15.000000 -2.5995 2.6683 0.3230 0.1616 0.1714 15.000000 -2.5995 2.6683 0.3230 0.1606 0.1725
16.000000 -1.4608 0.2622 0.9676 0.7962 0.1856 16.000000 -1.4608 0.2622 0.9676 0.7951 0.1867
17.000000 -1.3791 1.1576 3.0484 2.8628 0.2090 17.000000 -1.3791 1.1576 3.0484 2.8617 0.2101
18.000000 -1.6771 0.9078 1.5947 1.3857 0.2309 18.000000 -1.6771 0.9078 1.5947 1.3846 0.2320
19.000000 -1.5241 1.2623 4.1823 3.9513 0.2607 19.000000 -1.5241 1.2623 4.1823 3.9503 0.2617
20.000000 -1.1997 0.9529 3.1902 2.9295 0.2924 20.000000 -1.1997 0.9529 3.1902 2.9285 0.2935
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment