Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
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Name
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Size
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Rev |
Age
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Author
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Last Change |
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../
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bin
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5b2946
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8 years
|
FrederikHeber |
configure.ac working, mpqc compiles, linking fails.
|
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doc
|
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a844d8
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55 years
|
(none) |
|
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include
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a844d8
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55 years
|
(none) |
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|
lib
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794a65
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8 years
|
FrederikHeber |
Atomic basis sets are now distributed.
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m4
|
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5b2946
|
8 years
|
FrederikHeber |
configure.ac working, mpqc compiles, linking fails.
|
|
src
|
|
1c350e
|
8 years
|
FrederikHeber |
Added MPI_Init() call to mpqc's main() when MPI is available but not …
|
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.gitignore
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45 bytes
|
5b2946
|
8 years
|
FrederikHeber |
configure.ac working, mpqc compiles, linking fails.
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AUTHORS
|
115 bytes
|
5b2946
|
8 years
|
FrederikHeber |
configure.ac working, mpqc compiles, linking fails.
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bootstrap
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419 bytes
|
5b2946
|
8 years
|
FrederikHeber |
configure.ac working, mpqc compiles, linking fails.
|
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CHANGES
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10.0 KB
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a844d8
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55 years
|
(none) |
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CITATION
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1.0 KB
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a844d8
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55 years
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(none) |
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configure.ac
|
49.2 KB
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8918aa
|
8 years
|
FrederikHeber |
mpqc_open now has default scdatadir as datadir/molecuilder.
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COPYING
|
17.6 KB
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a844d8
|
55 years
|
(none) |
|
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COPYING.LIB
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24.7 KB
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a844d8
|
55 years
|
(none) |
|
|
INSTALL
|
15.4 KB
|
5b2946
|
8 years
|
FrederikHeber |
configure.ac working, mpqc compiles, linking fails.
|
|
LICENSE
|
1.3 KB
|
a844d8
|
55 years
|
(none) |
|
|
Makefile.am
|
149 bytes
|
794a65
|
8 years
|
FrederikHeber |
Atomic basis sets are now distributed.
|
|
NEWS
|
0 bytes
|
5b2946
|
8 years
|
FrederikHeber |
configure.ac working, mpqc compiles, linking fails.
|
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README
|
1.8 KB
|
a844d8
|
55 years
|
(none) |
|
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