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
Candidate_v1.7.0
Candidate_v1.7.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
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
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Name
|
Size
|
Rev |
Age
|
Author
|
Last Change |
|
../
|
|
src
|
|
fbf005
|
9 years
|
FrederikHeber |
HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker.
…
|
|
m4
|
|
fc5d2d
|
9 years
|
FrederikHeber |
Removed *.in, *.swp, and *.m4 from gitignore which caused many …
|
|
lib
|
|
794a65
|
10 years
|
FrederikHeber |
Atomic basis sets are now distributed.
|
|
include
|
|
5169d1b
|
57 years
|
(none) |
|
|
doc
|
|
5169d1b
|
57 years
|
(none) |
|
|
bin
|
|
5b2946
|
10 years
|
FrederikHeber |
configure.ac working, mpqc compiles, linking fails.
|
|
README
|
1.8 KB
|
5169d1b
|
57 years
|
(none) |
|
|
NEWS
|
0 bytes
|
5b2946
|
10 years
|
FrederikHeber |
configure.ac working, mpqc compiles, linking fails.
|
|
Makefile.am
|
174 bytes
|
494d1f
|
9 years
|
FrederikHeber |
Added -I m4 to levmar's ACLOCAL_AMFLAGS.
|
|
LICENSE
|
1.3 KB
|
5169d1b
|
57 years
|
(none) |
|
|
INSTALL
|
15.4 KB
|
5b2946
|
10 years
|
FrederikHeber |
configure.ac working, mpqc compiles, linking fails.
|
|
COPYING.LIB
|
24.7 KB
|
5169d1b
|
57 years
|
(none) |
|
|
COPYING
|
17.6 KB
|
5169d1b
|
57 years
|
(none) |
|
|
configure.ac
|
49.2 KB
|
ba1152
|
9 years
|
FrederikHeber |
Removed libfl dependence in mpqc.
- this fixes "undefined reference …
|
|
CITATION
|
1.0 KB
|
5169d1b
|
57 years
|
(none) |
|
|
CHANGES
|
10.0 KB
|
5169d1b
|
57 years
|
(none) |
|
|
bootstrap
|
481 bytes
|
d8a1ff
|
10 years
|
FrederikHeber |
Modified present bootstraps to create ChangeLog only for respective …
|
|
AUTHORS
|
115 bytes
|
5b2946
|
10 years
|
FrederikHeber |
configure.ac working, mpqc compiles, linking fails.
|
|
.gitignore
|
68 bytes
|
fc5d2d
|
9 years
|
FrederikHeber |
Removed *.in, *.swp, and *.m4 from gitignore which caused many …
|
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