Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
Last change
on this file since 3b74fa was 1a48d2, checked in by Frederik Heber <heber@…>, 11 years ago |
Added ForceAnnealingAction.
- also added regression test.
- performs a single optimization step.
- added output-every-step for debugging.
|
-
Property mode
set to
100644
|
File size:
157 bytes
|
Line | |
---|
1 | #atom x y z
|
---|
2 | 1 0.1 0.1 0.
|
---|
3 | 2 0.1 0.1 0.
|
---|
4 | 3 0.1 0.1 0.
|
---|
5 | 4 0.1 0.1 0.
|
---|
6 | 5 0.1 0.1 0.
|
---|
7 | 6 0.1 0.1 0.
|
---|
8 | 7 0.1 0.1 0.
|
---|
9 | 8 0.1 0.1 0.
|
---|
10 | 9 0.1 0.1 0.
|
---|
11 | 10 0.1 0.1 0.
|
---|
12 | 11 0.1 0.1 0.
|
---|
Note:
See
TracBrowser
for help on using the repository browser.