Commit 9b1e3111 by Francois Gygi

edit comments


git-svn-id: http://qboxcode.org/svn/qb/trunk@440 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 8c4885d8
......@@ -3,18 +3,18 @@
// MDIonicStepper.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: MDIonicStepper.h,v 1.6 2005-06-27 22:25:34 fgygi Exp $
// $Id: MDIonicStepper.h,v 1.7 2006-05-13 05:38:17 fgygi Exp $
//
// IonicStepper is used in the following way
//
// input: r0,v0
//
// compute forces f0(r0)
// compute energy e0(r0) and forces f0(r0)
// for ( k=0; k<n; k++ )
// {
// // r0,v0,f0 known
// stepper->compute_r(f0)
// // r0,v0,e0,f0 known
// stepper->compute_r(e0,f0)
// {
// computes rp using r0, v0 and f0
// restores constraints on rp using rp and r0
......@@ -23,7 +23,7 @@
//
// compute f0(r0)
//
// stepper->compute_v(f0)
// stepper->compute_v(e0,f0)
// {
// computes v0 using r0,rm,f0
// restores constraints on v0 using r0, v0
......
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