[Swift-commit] r8184 - SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md

[wozniak at ci.uchicago.edu]

Author: wozniak
Date: 2014-08-14 11:47:23 -0500 (Thu, 14 Aug 2014)
New Revision: 8184

Modified:
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.swift
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.swift
Log:
Version crashes STC


Modified: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.swift
===================================================================
--- SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.swift	2014-08-14 16:34:57 UTC (rev 8183)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.swift	2014-08-14 16:47:23 UTC (rev 8184)
@@ -1,13 +1,16 @@
 
 @dispatch=WORKER
 (file outfile, file trjfile)
-simulate(int step_num, int step_print_num,
-         int step_print, int step_print_index,
-         int np, int nd,
+simulate(int np, int nd,
+         int step_num, int step_print_num,
+         float dt,
          float mass,
-         float dt,
-         int seed)
+         string printinfo,
+         float scale_factor,
+         float scale_offset,
+         int seed,
+         file outfile, file trjfile)
 "md" "0.0"
 [
-"simulate <<step_num>> <<step_print_num>> <<step_print>> <<step_print_index>> <<np>> <<nd>> <<mass>> <<dt>> <<seed>> [ lindex $<<outfile>> 0 ] [ lindex $<<trjfile>> 0 ]"
+"simulate <<nd>> <<nd>> <<step_num>> <<step_print_num>> <<dt>> <<mass>> <<printinfo>> <<scale_factor>> <<scale_offset>> <<seed>> [ lindex $<<outfile>> 0 ] [ lindex $<<trjfile>> 0 ]"
 ];

Modified: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.swift
===================================================================
--- SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.swift	2014-08-14 16:34:57 UTC (rev 8183)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.swift	2014-08-14 16:47:23 UTC (rev 8184)
@@ -5,5 +5,7 @@
 {
   file out_txt<"out.txt">;
   file out_trj<"out.trj">;
-  (out_txt, out_trj) = simulate(10, 10, 3, 0, 10, 2, 1, 0.1, 42);
+  (out_txt, out_trj) = simulate(3, 0, 10, 10, 0.1, 1,
+                                "0.1 1.0 0.2 0.05 50.0 0.1",
+                                2.5, 2.0, 42, out_txt, out_trj);
 }