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
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
|
Last change
on this file since 33af20 was 220d2c, checked in by Frederik Heber <frederik.heber@…>, 8 years ago |
|
TremoloParser::load() can deal with multiple time steps.
- TESTS: Added regression test case.
- ATOMDATA needs to be the same. Check by regression test case.
- TESTS: set to XFAIL for the moment due to missing save() implementation
for multiple time steps.
|
-
Property mode
set to
100644
|
|
File size:
249 bytes
|
| Line | |
|---|
| 1 | # ATOMDATA Id type x=3 neighbors=4
|
|---|
| 2 | # Box 20 0 0 0 20 0 0 0 20
|
|---|
| 3 | 1 O 0 0 0 2 3 0 0
|
|---|
| 4 | 2 H 0.759 0 0.504 1 0 0 0
|
|---|
| 5 | 3 H 0.759 0 -0.504 1 0 0 0
|
|---|
| 6 | # ATOMDATA Id type x=3 neighbors=4
|
|---|
| 7 | 1 O 0.001 0 0 2 3 0 0
|
|---|
| 8 | 2 H 0.761 0 0.504 1 0 0 0
|
|---|
| 9 | 3 H 0.761 0 -0.504 1 0 0 0
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
