diff --git a/regtest/basic/rt67-mpi/COLVAR.reference b/regtest/basic/rt67-mpi/COLVAR.reference index 7d00a355feca39f9bec7a530282a1b70349104d2..2f9cce0086b9293399fcf1e494ad3111e8f91a6b 100644 --- a/regtest/basic/rt67-mpi/COLVAR.reference +++ b/regtest/basic/rt67-mpi/COLVAR.reference @@ -14,13 +14,13 @@ 8.000000 -1.8429 1.3293 0.6692 0.5800 0.1025 9.000000 -2.2424 2.6059 0.0000 -0.1025 0.1109 10.000000 -1.1482 0.5350 1.8435 1.7326 0.1281 - 11.000000 -1.7580 2.0752 0.0012 -0.1269 0.1367 - 12.000000 -1.3186 3.0997 0.0000 -0.1367 0.1443 - 13.000000 -2.9911 2.8991 0.0000 -0.1443 0.1524 - 14.000000 -1.4112 0.0028 0.0285 -0.1239 0.1614 - 15.000000 -2.5995 2.6683 0.3230 0.1616 0.1714 - 16.000000 -1.4608 0.2622 0.9676 0.7962 0.1856 - 17.000000 -1.3791 1.1576 3.0484 2.8628 0.2090 - 18.000000 -1.6771 0.9078 1.5947 1.3857 0.2309 - 19.000000 -1.5241 1.2623 4.1823 3.9513 0.2607 - 20.000000 -1.1997 0.9529 3.1902 2.9295 0.2924 + 11.000000 -1.7580 2.0752 0.0012 -0.1269 0.1368 + 12.000000 -1.3186 3.0997 0.0000 -0.1368 0.1451 + 13.000000 -2.9911 2.8991 0.0000 -0.1451 0.1534 + 14.000000 -1.4112 0.0028 0.0285 -0.1250 0.1625 + 15.000000 -2.5995 2.6683 0.3230 0.1606 0.1725 + 16.000000 -1.4608 0.2622 0.9676 0.7951 0.1867 + 17.000000 -1.3791 1.1576 3.0484 2.8617 0.2101 + 18.000000 -1.6771 0.9078 1.5947 1.3846 0.2320 + 19.000000 -1.5241 1.2623 4.1823 3.9503 0.2617 + 20.000000 -1.1997 0.9529 3.1902 2.9285 0.2935 diff --git a/regtest/basic/rt67/COLVAR.reference b/regtest/basic/rt67/COLVAR.reference index 7d00a355feca39f9bec7a530282a1b70349104d2..2f9cce0086b9293399fcf1e494ad3111e8f91a6b 100644 --- a/regtest/basic/rt67/COLVAR.reference +++ b/regtest/basic/rt67/COLVAR.reference @@ -14,13 +14,13 @@ 8.000000 -1.8429 1.3293 0.6692 0.5800 0.1025 9.000000 -2.2424 2.6059 0.0000 -0.1025 0.1109 10.000000 -1.1482 0.5350 1.8435 1.7326 0.1281 - 11.000000 -1.7580 2.0752 0.0012 -0.1269 0.1367 - 12.000000 -1.3186 3.0997 0.0000 -0.1367 0.1443 - 13.000000 -2.9911 2.8991 0.0000 -0.1443 0.1524 - 14.000000 -1.4112 0.0028 0.0285 -0.1239 0.1614 - 15.000000 -2.5995 2.6683 0.3230 0.1616 0.1714 - 16.000000 -1.4608 0.2622 0.9676 0.7962 0.1856 - 17.000000 -1.3791 1.1576 3.0484 2.8628 0.2090 - 18.000000 -1.6771 0.9078 1.5947 1.3857 0.2309 - 19.000000 -1.5241 1.2623 4.1823 3.9513 0.2607 - 20.000000 -1.1997 0.9529 3.1902 2.9295 0.2924 + 11.000000 -1.7580 2.0752 0.0012 -0.1269 0.1368 + 12.000000 -1.3186 3.0997 0.0000 -0.1368 0.1451 + 13.000000 -2.9911 2.8991 0.0000 -0.1451 0.1534 + 14.000000 -1.4112 0.0028 0.0285 -0.1250 0.1625 + 15.000000 -2.5995 2.6683 0.3230 0.1606 0.1725 + 16.000000 -1.4608 0.2622 0.9676 0.7951 0.1867 + 17.000000 -1.3791 1.1576 3.0484 2.8617 0.2101 + 18.000000 -1.6771 0.9078 1.5947 1.3846 0.2320 + 19.000000 -1.5241 1.2623 4.1823 3.9503 0.2617 + 20.000000 -1.1997 0.9529 3.1902 2.9285 0.2935