David Cosgrove e712d201a6 Fix Rascal out of memory bug. (#8648) ...

* Make test

* Cap number of equivalent cliques that will be produced.

* Oh FFFS!

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Co-authored-by: David Cosgrove <david@cozchemix.co.uk>

2025-07-24 16:43:09 +02:00

..

data

RASCAL MCES (#6568)

2023-08-27 13:51:49 +02:00

Wrap

Fix Rascal out of memory bug. (#8648)

2025-07-24 16:43:09 +02:00

CMakeLists.txt

Rascal Fix 8360 (#8376)

2025-04-08 10:12:58 +02:00

lap_a_la_scipy.cpp

Fail CI builds on compiler warnings + some fixes (#6675)

2023-09-02 04:38:45 +02:00

LONG_TEST_mces_catch.cpp

Rascal Fix 8360 (#8376)

2025-04-08 10:12:58 +02:00

mces_catch.cpp

Fix Rascal out of memory bug. (#8648)

2025-07-24 16:43:09 +02:00

mces_cluster_catch.cpp

switch to catch2 v3 (#6898)

2023-11-15 06:45:42 +01:00

PartitionSet.cpp

RASCAL MCES (#6568)

2023-08-27 13:51:49 +02:00

PartitionSet.h

Suppress large amounts of 'BOOST_NO_CXX98_FUNCTION_BASE macro redefined' warnings in clang/emcc builds (#7747)

2025-03-29 20:04:58 +01:00

RascalButinaCluster.cpp

RASCAL MCES (#6568)

2023-08-27 13:51:49 +02:00

RascalCluster.cpp

RASCAL MCES (#6568)

2023-08-27 13:51:49 +02:00

RascalClusterOptions.h

RASCAL MCES (#6568)

2023-08-27 13:51:49 +02:00

RascalDetails.h

Rascal atom and bond equivalences (#7612)

2024-07-23 06:02:33 +02:00

RascalMCES.cpp

Fix Rascal out of memory bug. (#8648)

2025-07-24 16:43:09 +02:00

RascalMCES.h

RASCAL MCES (#6568)

2023-08-27 13:51:49 +02:00

RascalOptions.h

Fix Rascal out of memory bug. (#8648)

2025-07-24 16:43:09 +02:00

RascalResult.cpp

Rascal Fix 8360 (#8376)

2025-04-08 10:12:58 +02:00

RascalResult.h

Trim results after singleLargestFrag = true applied. (#8202)

2025-01-28 14:04:16 +01:00