[Swift-commit] r8220 - in SwiftTutorials/ATPESC_2014-08-14/swift-t/examples: 05-md md-src

[wozniak at ci.uchicago.edu]

Author: wozniak
Date: 2014-08-14 15:47:54 -0500 (Thu, 14 Aug 2014)
New Revision: 8220

Modified:
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-local-mds.sh
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.swift
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/md-src/md.c
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/md-src/md.h
Log:
Fix np/nd issue


Modified: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-local-mds.sh
===================================================================
--- SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-local-mds.sh	2014-08-14 20:45:42 UTC (rev 8219)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-local-mds.sh	2014-08-14 20:47:54 UTC (rev 8220)
@@ -1,6 +1,6 @@
 #!/bin/zsh -eu
 
-A=( SIMULATIONS NP ND STEP_NUM STEP_PRINT_NUM DT MASS PRINTINFO
+A=( SIMULATIONS ND NP STEP_NUM STEP_PRINT_NUM DT MASS PRINTINFO
     SCALE_FACTOR SCALE_OFFSET SEED )
 
 if [[ ${#*} != ${#A} ]]

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 20:45:42 UTC (rev 8219)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.swift	2014-08-14 20:47:54 UTC (rev 8220)
@@ -5,7 +5,7 @@
 {
   file out_txt<"out.txt">;
   file out_trj<"out.trj">;
-  (out_txt, out_trj) = simulate(3, 0, 10, 10, 0.1, 1,
+  (out_txt, out_trj) = simulate(10, 2, 10, 10, 0.1, 1,
                                 "0.1 1.0 0.2 0.05 50.0 0.1",
                                 2.5, 2.0, 42);
 }

Modified: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/md-src/md.c
===================================================================
--- SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/md-src/md.c	2014-08-14 20:45:42 UTC (rev 8219)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/md-src/md.c	2014-08-14 20:47:54 UTC (rev 8220)
@@ -23,7 +23,7 @@
 static void trj_file_open(char *trjfile);
 static void trj_file_close(void);
 
-void simulate ( int nd, int np,
+void simulate ( int np, int nd,
 		int step_num, int step_print_num,
 		double dt,
 		double mass,

Modified: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/md-src/md.h
===================================================================
--- SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/md-src/md.h	2014-08-14 20:45:42 UTC (rev 8219)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/md-src/md.h	2014-08-14 20:47:54 UTC (rev 8220)
@@ -20,7 +20,7 @@
 void compute ( int np, int nd, double pos[], double vel[],
   double mass, double f[], double *pot, double *kin );
 
-void simulate ( int nd, int np,
+void simulate ( int np, int nd,
 		int step_num, int step_print_num,
 		double dt,
 		double mass,