From 8a87ad9ffb6ab8ca94f6e0d2328c795f154dcd51 Mon Sep 17 00:00:00 2001 From: Giovanni Bussi <giovanni.bussi@gmail.com> Date: Thu, 8 Jun 2017 22:53:16 +0200 Subject: [PATCH] fixed regtest --- .../derivatives.reference | 88 +++++++++---------- 1 file changed, 44 insertions(+), 44 deletions(-) diff --git a/regtest/multicolvar/rt-coordination-powers/derivatives.reference b/regtest/multicolvar/rt-coordination-powers/derivatives.reference index d6fa5fe2f..5c4c73cea 100644 --- a/regtest/multicolvar/rt-coordination-powers/derivatives.reference +++ b/regtest/multicolvar/rt-coordination-powers/derivatives.reference @@ -3,51 +3,51 @@ 0.000000 1 0.2309 0.2309 0.000000 2 0.1160 0.1160 0.000000 3 -0.3510 -0.3510 - 0.000000 4 0.3400 0.3399 + 0.000000 4 0.3400 0.3400 0.000000 5 0.0247 0.0247 0.000000 6 -0.2278 -0.2278 0.000000 7 -0.3331 -0.3331 - 0.000000 8 0.1717 0.1717 - 0.000000 9 0.3075 0.3075 + 0.000000 8 0.1718 0.1718 + 0.000000 9 0.3076 0.3076 0.000000 10 -0.3590 -0.3590 0.000000 11 0.0586 0.0586 0.000000 12 0.3427 0.3427 0.000000 13 0.3101 0.3101 0.000000 14 -0.0220 -0.0220 - 0.000000 15 -0.3299 -0.3299 + 0.000000 15 -0.3300 -0.3300 0.000000 16 0.2127 0.2127 0.000000 17 -0.1563 -0.1563 0.000000 18 -0.3289 -0.3289 - 0.000000 19 -0.3329 -0.3329 + 0.000000 19 -0.3330 -0.3330 0.000000 20 -0.0762 -0.0762 0.000000 21 0.2298 0.2298 - 0.000000 22 -0.3171 -0.3171 + 0.000000 22 -0.3172 -0.3171 0.000000 23 -0.1589 -0.1589 0.000000 24 0.2379 0.2379 0.000000 25 0.1246 0.1246 0.000000 26 -0.0916 -0.0916 0.000000 27 -0.2175 -0.2175 0.000000 28 0.1238 0.1238 - 0.000000 29 0.1338 0.1338 - 0.000000 30 1.2685 1.2685 + 0.000000 29 0.1339 0.1339 + 0.000000 30 1.2686 1.2686 0.000000 31 0.0008 0.0008 0.000000 32 -0.0777 -0.0777 0.000000 33 0.0008 0.0008 - 0.000000 34 1.1232 1.1232 + 0.000000 34 1.1233 1.1233 0.000000 35 0.0031 0.0031 0.000000 36 -0.0777 -0.0777 0.000000 37 0.0031 0.0031 - 0.000000 38 2.5442 2.5442 + 0.000000 38 2.5446 2.5446 0.005000 0 0.3287 0.3287 0.005000 1 0.2323 0.2323 0.005000 2 0.1100 0.1100 0.005000 3 -0.3587 -0.3587 - 0.005000 4 0.3366 0.3366 + 0.005000 4 0.3367 0.3367 0.005000 5 0.0181 0.0181 0.005000 6 -0.2232 -0.2232 0.005000 7 -0.3296 -0.3296 0.005000 8 0.1699 0.1699 - 0.005000 9 0.2907 0.2907 + 0.005000 9 0.2908 0.2908 0.005000 10 -0.3585 -0.3585 0.005000 11 0.0690 0.0690 0.005000 12 0.3444 0.3444 @@ -55,8 +55,8 @@ 0.005000 14 -0.0237 -0.0237 0.005000 15 -0.3163 -0.3163 0.005000 16 0.1948 0.1948 - 0.005000 17 -0.1721 -0.1721 - 0.005000 18 -0.3260 -0.3260 + 0.005000 17 -0.1722 -0.1722 + 0.005000 18 -0.3261 -0.3261 0.005000 19 -0.3198 -0.3198 0.005000 20 -0.0941 -0.0941 0.005000 21 0.2273 0.2273 @@ -68,57 +68,57 @@ 0.005000 27 -0.2023 -0.2023 0.005000 28 0.1276 0.1276 0.005000 29 0.1406 0.1406 - 0.005000 30 1.2982 1.2982 - 0.005000 31 0.0073 0.0073 + 0.005000 30 1.2983 1.2983 + 0.005000 31 0.0074 0.0074 0.005000 32 -0.0442 -0.0442 - 0.005000 33 0.0073 0.0073 - 0.005000 34 1.0615 1.0615 + 0.005000 33 0.0074 0.0074 + 0.005000 34 1.0616 1.0616 0.005000 35 0.0049 0.0049 0.005000 36 -0.0442 -0.0442 0.005000 37 0.0049 0.0049 - 0.005000 38 2.4945 2.4945 + 0.005000 38 2.4949 2.4949 0.010000 0 0.3057 0.3057 0.010000 1 0.2219 0.2219 - 0.010000 2 0.1122 0.1122 + 0.010000 2 0.1123 0.1123 0.010000 3 -0.3610 -0.3610 0.010000 4 0.3207 0.3207 0.010000 5 0.0249 0.0249 0.010000 6 -0.2431 -0.2431 - 0.010000 7 -0.3226 -0.3226 + 0.010000 7 -0.3227 -0.3227 0.010000 8 0.1861 0.1861 0.010000 9 0.3110 0.3110 0.010000 10 -0.3230 -0.3230 0.010000 11 0.0536 0.0536 0.010000 12 0.3321 0.3321 - 0.010000 13 0.2459 0.2459 + 0.010000 13 0.2460 0.2460 0.010000 14 -0.0204 -0.0204 0.010000 15 -0.3035 -0.3035 0.010000 16 0.1750 0.1750 - 0.010000 17 -0.1894 -0.1894 + 0.010000 17 -0.1895 -0.1895 0.010000 18 -0.3215 -0.3215 0.010000 19 -0.3011 -0.3011 0.010000 20 -0.0991 -0.0991 0.010000 21 0.2342 0.2342 0.010000 22 -0.2677 -0.2677 - 0.010000 23 -0.1511 -0.1511 + 0.010000 23 -0.1512 -0.1512 0.010000 24 0.2325 0.2325 0.010000 25 0.1200 0.1200 0.010000 26 -0.0458 -0.0458 0.010000 27 -0.1864 -0.1864 0.010000 28 0.1309 0.1309 0.010000 29 0.1290 0.1290 - 0.010000 30 1.3545 1.3545 + 0.010000 30 1.3546 1.3546 0.010000 31 -0.0010 -0.0010 0.010000 32 -0.0324 -0.0324 0.010000 33 -0.0010 -0.0010 - 0.010000 34 0.9468 0.9468 - 0.010000 35 0.0117 0.0117 + 0.010000 34 0.9469 0.9469 + 0.010000 35 0.0118 0.0118 0.010000 36 -0.0324 -0.0324 - 0.010000 37 0.0117 0.0117 - 0.010000 38 2.4481 2.4481 + 0.010000 37 0.0118 0.0118 + 0.010000 38 2.4485 2.4485 0.015000 0 0.2784 0.2784 0.015000 1 0.2040 0.2040 - 0.015000 2 0.0908 0.0908 + 0.015000 2 0.0909 0.0909 0.015000 3 -0.3455 -0.3455 0.015000 4 0.2867 0.2867 0.015000 5 0.0230 0.0230 @@ -133,7 +133,7 @@ 0.015000 14 -0.0163 -0.0163 0.015000 15 -0.2939 -0.2939 0.015000 16 0.1585 0.1585 - 0.015000 17 -0.2067 -0.2067 + 0.015000 17 -0.2068 -0.2068 0.015000 18 -0.3090 -0.3090 0.015000 19 -0.2674 -0.2674 0.015000 20 -0.0777 -0.0777 @@ -141,12 +141,12 @@ 0.015000 22 -0.2560 -0.2560 0.015000 23 -0.1327 -0.1327 0.015000 24 0.2310 0.2310 - 0.015000 25 0.1251 0.1251 + 0.015000 25 0.1252 0.1252 0.015000 26 -0.0350 -0.0350 0.015000 27 -0.1689 -0.1689 - 0.015000 28 0.1362 0.1362 + 0.015000 28 0.1363 0.1363 0.015000 29 0.1099 0.1099 - 0.015000 30 1.3936 1.3936 + 0.015000 30 1.3937 1.3937 0.015000 31 -0.0040 -0.0040 0.015000 32 -0.0365 -0.0365 0.015000 33 -0.0040 -0.0040 @@ -154,12 +154,12 @@ 0.015000 35 -0.0103 -0.0103 0.015000 36 -0.0365 -0.0365 0.015000 37 -0.0103 -0.0103 - 0.015000 38 2.3506 2.3506 + 0.015000 38 2.3510 2.3510 0.020000 0 0.2666 0.2666 - 0.020000 1 0.1868 0.1868 + 0.020000 1 0.1869 0.1869 0.020000 2 0.0703 0.0703 - 0.020000 3 -0.3254 -0.3254 - 0.020000 4 0.2691 0.2691 + 0.020000 3 -0.3255 -0.3255 + 0.020000 4 0.2692 0.2692 0.020000 5 0.0102 0.0102 0.020000 6 -0.2645 -0.2645 0.020000 7 -0.2835 -0.2835 @@ -172,12 +172,12 @@ 0.020000 14 -0.0355 -0.0355 0.020000 15 -0.2931 -0.2931 0.020000 16 0.1405 0.1405 - 0.020000 17 -0.2154 -0.2154 - 0.020000 18 -0.2976 -0.2976 + 0.020000 17 -0.2155 -0.2155 + 0.020000 18 -0.2977 -0.2977 0.020000 19 -0.2589 -0.2589 0.020000 20 -0.0579 -0.0579 0.020000 21 0.2223 0.2223 - 0.020000 22 -0.2594 -0.2594 + 0.020000 22 -0.2595 -0.2595 0.020000 23 -0.1251 -0.1251 0.020000 24 0.2263 0.2263 0.020000 25 0.1348 0.1348 @@ -185,12 +185,12 @@ 0.020000 27 -0.1535 -0.1535 0.020000 28 0.1365 0.1365 0.020000 29 0.0982 0.0982 - 0.020000 30 1.3941 1.3941 + 0.020000 30 1.3942 1.3942 0.020000 31 0.0116 0.0116 0.020000 32 -0.0319 -0.0319 0.020000 33 0.0116 0.0116 - 0.020000 34 0.8065 0.8065 + 0.020000 34 0.8066 0.8066 0.020000 35 -0.0388 -0.0388 0.020000 36 -0.0319 -0.0319 0.020000 37 -0.0388 -0.0388 - 0.020000 38 2.2835 2.2835 + 0.020000 38 2.2840 2.2840 -- GitLab