Ricardo Rodriguez 6a290ca52f Throw when attempting to normalize a Zero RDGeom::Point (#8008) ...

* throw if close to zero

* fix moldraw2DTestCatch

* Fix testRGroupDecomp

* fix one test in distGeomHelpersCatch

* fix tests in distGeomHelpersCatch

* retry finding a dir vector when adding Hs

* push UFF fixes to calculateCosY

* fix the setTerminalAtomCoords deg 4 patch

* add a test

* reduce zero tolerance

2024-11-28 07:27:45 +01:00

..

Alignment

avoid division by zero (#8013)

2024-11-28 07:27:27 +01:00

EigenSolvers

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

Optimizer

One final round of mem errors (#7943)

2024-11-28 07:13:18 +01:00

CMakeLists.txt

Cleanup some cmake dependencies (#3077)

2020-04-17 14:34:23 +02:00

Conrec.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

Matrix.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

SquareMatrix.h

Run clang-tidy (modernize-use-override) (#4251)

2021-07-01 05:18:56 +02:00

SymmMatrix.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

testConrec.cpp

fixes #7083 (#7084)

2024-01-23 13:17:30 +01:00

testMatrices.cpp

Modernize deprecated header inclusion (#3137)

2020-05-04 10:40:57 +02:00

Vector.h

Throw when attempting to normalize a Zero RDGeom::Point (#8008)

2024-11-28 07:27:45 +01:00