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m-a-d-n-e-s-s
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madness
Multiresolution Adaptive Numerical Environment for Scientific Simulation
GNU General Public License v2.0
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fence checks postcondition that there are no tasks
#550
evaleev
opened
1 day ago
0
enable cmake build of FFT-based periodic Coulomb potential test
#549
evaleev
closed
2 weeks ago
0
remove `Function::coeffs_for_jun`
#548
evaleev
closed
2 weeks ago
0
Decrease time for world.gop.reduce
#547
EricaCMitchell
closed
2 weeks ago
0
save separate real and imaginary MOs for znemo
#546
Raunak12775
closed
1 month ago
0
Pr fix cc2
#545
fbischoff
closed
1 month ago
1
Madqc pr
#543
ahurta92
opened
2 months ago
0
Pr fix build docs
#542
fbischoff
closed
2 months ago
0
fix C++20 build with Clang 18
#541
evaleev
closed
3 months ago
0
disable gop broadcast for nontrivially copyable types
#540
evaleev
closed
3 months ago
0
removed `using namespace madness` from chem headers
#539
evaleev
closed
3 months ago
0
use Boost::headers target, need boost 1.35 at minimum
#538
evaleev
closed
3 months ago
0
[ci] update GHA MacOS runner
#537
evaleev
closed
4 months ago
0
hardwire `CMAKE_CUDA_STANDARD` to 17
#536
evaleev
closed
4 months ago
0
Periodic `CoulombOperator` Gives Garbage
#535
JonathonMisiewicz
opened
4 months ago
5
Do not initialize Tensor and cache vright coeffs
#534
devreal
closed
4 months ago
0
Update cmake.yml
#533
JonathonMisiewicz
closed
6 months ago
0
Make build pass
#532
JonathonMisiewicz
closed
6 months ago
0
Misc. cleanup
#531
JonathonMisiewicz
closed
6 months ago
2
Fixes problem with setting units to au or Bohr
#530
ahurta92
opened
7 months ago
2
fixup batched WorldGopInterface::concat0
#529
evaleev
closed
7 months ago
0
TOC generation (1.1.4) looks inside code blocks
#528
franzinc
closed
5 months ago
1
Breadcrumbs are problematic (in version 1.1.4)
#527
franzinc
opened
7 months ago
4
amends batching changes to WorldGopInterface::concat0
#526
evaleev
closed
7 months ago
0
tests fail on github due to missing disk space
#525
fbischoff
opened
7 months ago
0
moldft with 2 processes aborts
#524
fbischoff
closed
7 months ago
6
memory size units
#523
evaleev
closed
7 months ago
1
Update h2.cc
#522
JonathonMisiewicz
closed
8 months ago
0
fix screening logic bug in do_apply
#521
evaleev
closed
8 months ago
0
introduced `WorldGopInterface::{set_,}max_reducebcast_msg_size()`
#520
evaleev
closed
8 months ago
1
remote task submission (by `WorldObject::task` and `world.gop.broadcast`) is out of order by default
#519
evaleev
closed
8 months ago
0
Pr make vphi with vectors
#518
fbischoff
closed
8 months ago
0
Preliminary changes to support periodic MRA-SCF
#517
JonathonMisiewicz
closed
7 months ago
2
RMI can handle more than 2^16 tasks per rank-to-rank pair
#516
evaleev
closed
9 months ago
0
RMI can break down when more than 2^16 tasks are sent per rank-to-rank pair
#515
evaleev
closed
9 months ago
0
added ability to "trace" (count) futures associated with WorldObjects
#514
evaleev
closed
9 months ago
0
ProjRLMFunctor --- parameter i unused, which seems wrong
#513
robertjharrison
closed
9 months ago
0
harden World unique object handling
#512
evaleev
closed
9 months ago
4
FindPython3 -> FindPython
#511
evaleev
closed
9 months ago
0
[ci] TBB detection (partially) broken when using OneAPI APT package 2021.11
#510
evaleev
closed
9 months ago
1
`ThreadPool::default_nthread` is public and static
#509
evaleev
closed
11 months ago
0
Update to latest version of parsec
#508
therault
closed
11 months ago
0
misc install issues
#507
evaleev
closed
11 months ago
0
`install` target is broken unless configured with `MADNESS_BUILD_MADWORLD_ONLY`
#506
evaleev
closed
11 months ago
1
installation paths should not be hardwired
#505
evaleev
closed
11 months ago
0
[MacPorts] LAPACK is not found when building with Clang
#504
barracuda156
opened
11 months ago
5
unified the tree status: reconstruct, compress, nonstandard, redundan…
#503
fbischoff
closed
11 months ago
0
overly noisy `parallel_archive.h`
#502
evaleev
opened
1 year ago
3
resolve `IMPORTED` targets in `LAPACK_LIBRARIES`
#501
evaleev
closed
1 year ago
0
`LAPACK_LIBRARIES` may contain `IMPORTED` targets, make sure they are available
#500
evaleev
closed
1 year ago
0
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