Commits

History for

Commits on Oct 8, 2025

Refactor iostreams includes (#8846)
ricrogz
authored
7b7a8a4

Commits on Feb 13, 2025

Fixes Github #7901 (#8264)
greglandrum
authored
1891a26

Commits on Jan 28, 2025

Fix typo in documentation (#8220)

nmaeder
and
greglandrum
authored
30b94ef

Commits on Jan 26, 2025

remove no-op macros and dead code (pt 4) (#8037)
whosayn
authored
44364fd

Commits on Nov 19, 2024

Throw when attempting to normalize a Zero RDGeom::Point (#8008)
ricrogz
authored
39d4662

Commits on Nov 15, 2024

fix potential division by zero (#8007)
ricrogz
authored
999d909

Commits on Sep 26, 2024

Run clang-format across everything (#7849)
greglandrum
authored
da6cd73

Commits on Aug 22, 2024

Reduce code duplication in ff (#7715)
nmaeder
authored
e1cd9f6

Commits on Aug 21, 2024

New contribs for DG (#7711)
nmaeder
authored
a45d4d9

Commits on Aug 10, 2024

Make sure angleconstraints only take angles between 0 and 180 degrees. (#7688)
nmaeder
authored
0be2c3a

Commits on May 10, 2024

Cleanup: Force field (#7406)

AnnaBruenisholz
and
greglandrum
authored
d315e24

Commits on Dec 16, 2022

swap boost::tuple to std::tuple (#5851)
greglandrum
authored
e322928

Commits on Oct 20, 2021

Run clang-format against cpp (#4358)
e-kwsm
authored
1153208

Commits on Sep 29, 2021

fix a thread-safety bug in the UFF parameter acquisition (#4553)
greglandrum
authored
157df3c

Commits on Jul 13, 2021

miscellaneous updates (#4284)
e-kwsm
authored
b9a5be5

Commits on Jul 1, 2021

Run clang-tidy (modernize-use-override) (#4251)
e-kwsm
authored
013ba4f

Commits on Jun 8, 2021

Run clang-format against header files (#4143)
e-kwsm
authored
78aac3c

Commits on Mar 26, 2021

- fixes #3781 (#3975)

ptosco
and
Paolo Tosco
authored
82ea43a

Commits on May 28, 2020

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

greglandrum
and
bp-kelley
authored
45b9aef

Commits on May 25, 2020

Modernization: use nullptr (#3143)
e-kwsm
authored
e86e2c1

Commits on May 4, 2020

Modernize deprecated header inclusion (#3137)
e-kwsm
authored
75f0341

Commits on Apr 17, 2020

Cleanup some cmake dependencies (#3077)

authored
45bf587

Commits on Jan 25, 2020

run clang-tidy with readability-braces-around-statements (#2899)
greglandrum
authored
d41752d

Commits on Jan 9, 2020

Cleanups and additional tests to improve test coverage (#2852)

greglandrum
authored and
bp-kelley
committed
a75018f

Commits on Oct 24, 2019

Fixes a bug in TorsionConstraint (#2732)

ptosco
authored and
greglandrum
committed
4d6f099

Commits on Apr 16, 2019

clang-tidy-7 pass (#2408)

greglandrum
authored and
bp-kelley
committed
ec31bea

Commits on Oct 29, 2018

Fix (most of) mem problems (#2123)

ricrogz
authored and
bp-kelley
committed
a6b2625

Commits on Oct 11, 2018

moved test.h from RDBoost to RDGeneral for consistency with export.h (#2074)

ptosco
authored and
greglandrum
committed
f7c8888

Commits on Jul 25, 2018

Fixes #1903 (#1971)
greglandrum
authored
2738c35

Commits on May 16, 2018

- enable building DLLs on Windows (#1861)

ptosco
authored and
greglandrum
committed
c08ea49

Commits on Oct 5, 2017

Merge branch 'master' into modern_cxx
greglandrum
committed
87786c0

Commits on Sep 11, 2017

Fix/urange check (#1506)

bp-kelley
authored and
greglandrum
committed
7488840

Commits on Apr 22, 2017

run clang-format with c++-11 style over that
greglandrum
committed
915cf08
clang-tidy output
greglandrum
committed
7c0bb0b

Commits on Sep 23, 2016

Issue1071/yapf (#1078)

gedeck
authored and
greglandrum
committed
e9af48f