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 @@ ...@@ -3,18 +3,18 @@
// MDIonicStepper.h: // 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 // IonicStepper is used in the following way
// //
// input: r0,v0 // input: r0,v0
// //
// compute forces f0(r0) // compute energy e0(r0) and forces f0(r0)
// for ( k=0; k<n; k++ ) // for ( k=0; k<n; k++ )
// { // {
// // r0,v0,f0 known // // r0,v0,e0,f0 known
// stepper->compute_r(f0) // stepper->compute_r(e0,f0)
// { // {
// computes rp using r0, v0 and f0 // computes rp using r0, v0 and f0
// restores constraints on rp using rp and r0 // restores constraints on rp using rp and r0
...@@ -23,7 +23,7 @@ ...@@ -23,7 +23,7 @@
// //
// compute f0(r0) // compute f0(r0)
// //
// stepper->compute_v(f0) // stepper->compute_v(e0,f0)
// { // {
// computes v0 using r0,rm,f0 // computes v0 using r0,rm,f0
// restores constraints on v0 using r0, v0 // restores constraints on v0 using r0, v0
......
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