Mercurial > repos > agpetit > calculate_diameter

diff test-data/pair_dist_arr.tabular @ 0:e227d80e53be draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/mesocentre-clermont-auvergne/aubi_piaf commit 48a10de1b21f94ab8019d9d0e4a43e0bd9d0c31e-dirty"
author agpetit
date Wed, 25 May 2022 07:17:24 +0000
parents
children
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/pair_dist_arr.tabular	Wed May 25 07:17:24 2022 +0000
@@ -0,0 +1,14 @@
+Time (ps)	AQP1,P1,HLAT-RSFG (Angstroms)	AQP1,P2,HLAT-RSFG (Angstroms)	AQP1,P3,HLAT-RSFG (Angstroms)	AQP1,P4,HLAT-RSFG (Angstroms)	AQP2,P1,HLAT-RSFG (Angstroms)	AQP2,P2,HLAT-RSFG (Angstroms)	AQP2,P3,HLAT-RSFG (Angstroms)	AQP2,P4,HLAT-RSFG (Angstroms)
+Mean	13.596	12.936	13.178	13.549	13.213	13.164	13.342	13.419
+Std	0.19	0.243	0.419	0.26	0.418	0.317	0.259	0.237
+0.0	13.592798233032227	13.11292552947998	12.862468719482422	13.96076488494873	13.549939155578613	13.350756645202637	12.975724220275879	13.52564811706543
+10.0	13.659698486328125	12.690077781677246	13.071565628051758	13.814165115356445	13.057756423950195	13.409703254699707	12.99246883392334	13.426648139953613
+20.0	13.638374328613281	12.970786094665527	14.196215629577637	13.619296073913574	13.64818000793457	12.67961597442627	13.23588752746582	13.252913475036621
+30.0	13.409908294677734	12.636972427368164	12.935920715332031	13.895562171936035	13.257441520690918	13.514164924621582	13.33935832977295	12.872748374938965
+40.0	13.700663566589355	13.30886459350586	13.064764022827148	13.626277923583984	13.06230640411377	13.431143760681152	13.589634895324707	13.487104415893555
+50.0	13.736593246459961	13.01927375793457	13.04196834564209	13.046476364135742	13.024452209472656	13.003536224365234	13.142778396606445	13.782355308532715
+60.0	13.618790626525879	13.018404006958008	12.811575889587402	13.301225662231445	12.109633445739746	12.846515655517578	13.861187934875488	13.744926452636719
+70.0	13.661763191223145	12.746076583862305	13.560006141662598	13.544204711914062	13.41203498840332	13.181901931762695	13.379557609558105	13.279899597167969
+80.0	13.943700790405273	13.358064651489258	12.832847595214844	13.416825294494629	13.551321029663086	13.333117485046387	13.339651107788086	13.309863090515137
+90.0	13.204079627990723	12.662531852722168	13.659078598022461	13.447236061096191	13.070229530334473	13.468667030334473	13.645709991455078	13.437175750732422
+100.0	13.384292602539062	12.76912784576416	12.92572021484375	13.37130069732666	13.59439468383789	12.585389137268066	13.26440143585205	13.485139846801758