Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
Candidate_v1.7.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
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
TremoloParser_MultipleTimesteps
stable
|
Last change
on this file since 70f2a1 was 398fcd, checked in by Frederik Heber <heber@…>, 9 years ago |
|
Converted validate subfolder into autotest suite.
- so long only for target check0.
|
-
Property mode
set to
100644
|
|
File size:
905 bytes
|
| Line | |
|---|
| 1 | Hessian VT1
|
|---|
| 2 | 3 atoms
|
|---|
| 3 | 8 -0.121182879105 0.000000000000 0.000000000000
|
|---|
| 4 | 1 0.961630112350 -0.000000000000 1.424853395389
|
|---|
| 5 | 1 0.961630112350 -0.000000000000 -1.424853395389
|
|---|
| 6 | 0.534644628186 -0.000000000000 0.000000000000 -0.000000000000 -0.000000000000
|
|---|
| 7 | 0.787361706327 -0.267322314093 0.000000000000 -0.299176563478 0.247340315450
|
|---|
| 8 | 0.000000000000 -0.000000000000 0.000000000000 -0.000000000000 0.000000000000
|
|---|
| 9 | -0.226545468236 0.000000000000 -0.393680853163 0.262861015857 -0.000000000000
|
|---|
| 10 | 0.426465843233 -0.267322314093 0.000000000000 0.299176563478 0.019981998643
|
|---|
| 11 | 0.000000000000 -0.036315547621 0.247340315450 -0.000000000000 0.000000000000
|
|---|
| 12 | 0.000000000000 -0.000000000000 -0.000000000000 0.000000000000 0.000000000000
|
|---|
| 13 | 0.000000000000 0.226545468236 -0.000000000000 -0.393680853163 0.036315547621
|
|---|
| 14 | 0.000000000000 -0.032784990069 -0.262861015857 -0.000000000000 0.426465843233
|
|---|
| 15 | End Hessian
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
