Revision | ef0d35451677a84039c1ce41619f6666b3329994 (tree) |
---|---|
Time | 2012-11-27 00:48:10 |
Author | Katsuhiko Nishimra <ktns.87@gmai...> |
Commiter | Katsuhiko Nishimra |
Describe optimization options. #28764
git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1135 1136aad2-a195-0410-b898-f5ea1d11b9d8
@@ -402,7 +402,7 @@ HOW TO WRITE INPUT: | ||
402 | 402 | |
403 | 403 | -options |
404 | 404 | "method", "total_steps", "electronic_state", "max_gradient", "rms_gradient", |
405 | - and "dt" are prepared as options. | |
405 | + "dt", "initial_trust_radius" and "max_norm_step" are prepared as options. | |
406 | 406 | |
407 | 407 | "method" should be set as "conjugate_gradient", "steepest_descent", or "bfgs". |
408 | 408 | The default of the "method" is conjugate gradient. |
@@ -428,6 +428,14 @@ HOW TO WRITE INPUT: | ||
428 | 428 | The default value of the "dt" is 50[fs]. |
429 | 429 | This parameter have no effect if method is "bfgs". |
430 | 430 | |
431 | + "initial_trust_radius" is an initial value for trust radius used by BFGS method. | |
432 | + The default value of the "initial_trust_radius" is 0.3. | |
433 | + This parameter have no effect if method is "steepest_descent" or "conjugate_gradient". | |
434 | + | |
435 | + "max_norm_step" is the maximum value for trust radius used by BFGS method. | |
436 | + The default value of the "max_norm_step" is 0.3. | |
437 | + This parameter have no effect if method is "steepest_descent" or "conjugate_gradient". | |
438 | + | |
431 | 439 | E.g. |
432 | 440 | OPTIMIZE |
433 | 441 | method steepest_descent |