[Swift-commit] r8187 - SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md

[wozniak at ci.uchicago.edu]

Author: wozniak
Date: 2014-08-14 11:59:32 -0500 (Thu, 14 Aug 2014)
New Revision: 8187

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:
run-md.swift works now - STC crash was due to input error - will file


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 16:53:39 UTC (rev 8186)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.swift	2014-08-14 16:59:32 UTC (rev 8187)
@@ -8,9 +8,8 @@
          string printinfo,
          float scale_factor,
          float scale_offset,
-         int seed,
-         file outfile, file trjfile)
+         int seed)
 "md" "0.0"
 [
-"simulate <<nd>> <<nd>> <<step_num>> <<step_print_num>> <<dt>> <<mass>> <<printinfo>> <<scale_factor>> <<scale_offset>> <<seed>> [ lindex $<<outfile>> 0 ] [ lindex $<<trjfile>> 0 ]"
+  "simulate <<np>> <<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 16:53:39 UTC (rev 8186)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.swift	2014-08-14 16:59:32 UTC (rev 8187)
@@ -7,5 +7,5 @@
   file out_trj<"out.trj">;
   (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);
+                                2.5, 2.0, 42);
 }