Changeset 4c6f0d for src/Actions

Timestamp:

Jul 12, 2017, 7:12:43 PM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, 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

Children:

3c9ac3

Parents:

7516f6

git-author:

Frederik Heber <frederik.heber@…> (07/12/17 13:20:58)

git-committer:

Frederik Heber <frederik.heber@…> (07/12/17 19:12:43)

Message:

FIX: server-port was invalid.

• now, we use empty string as param default to mimick old behavior.
• TESTFIX: FragmentationAutomation tests had wrong key-word and used files from FragmentMolecule pre/ folder.

File:

• src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified) (1 diff)

src/Actions/FragmentationAction/FragmentationAutomationAction.def

@@ -23 +23 @@
 #define paramtokens ("server-address")("server-port")("fragment-executable")("max-meshwidth")("grid-level")("near-field-cells")("interpolation-degree")("DoLongrange")("DoValenceOnly")("DoPrintDebug")("DoSmearElectronicCharges")("UseImplicitCharges")
 #define paramdescriptions ("hostname of server")("controller port of server")("executable to launch on clients")("maximum allowed mesh width, i.e. discrete points may be at most that far apart on the fragment grids")("resolution of multigrid")("number of cells used in smearing out core charge")("interpolation degree for getting the nuclei potential from the grid")("whether to calculate long-range contributions")("whether the sampling uses only the valence electron and nuclei charge")("whether to print grids for debug visualization")("whether to smear out electronic charge distributions with bsplines or not")("whether to model any non-selected atoms by partial charges implicitly") 
-#define paramdefaults (PARAM_DEFAULT("127.0.0.1"))(NOPARAM_DEFAULT)(PARAM_DEFAULT("mpqc"))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(5))(PARAM_DEFAULT(3))(PARAM_DEFAULT(3))(PARAM_DEFAULT("0"))(PARAM_DEFAULT("0"))(PARAM_DEFAULT("0"))(PARAM_DEFAULT("0"))(PARAM_DEFAULT("0"))
+#define paramdefaults (PARAM_DEFAULT("127.0.0.1"))(PARAM_DEFAULT(""))(PARAM_DEFAULT("mpqc"))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(5))(PARAM_DEFAULT(3))(PARAM_DEFAULT(3))(PARAM_DEFAULT("0"))(PARAM_DEFAULT("0"))(PARAM_DEFAULT("0"))(PARAM_DEFAULT("0"))(PARAM_DEFAULT("0"))
 #define paramreferences (host)(port)(executable)(max_meshwidth)(level)(near_field_cells)(interpolation_degree)(DoLongrange)(DoValenceOnly)(DoPrintDebug)(DoSmearCharges)(UseImplicitCharges)
 #define paramvalids \