Trung Nguyen 67574601ed Cleaned up commented-out and debugging stuffs, removed irrelevant changes to lj/cut/dipole/cut, reverted unwanted changes in the PPPMGPU destructor, fixed unresolved conflicts in tinker.py, updated the userbinsize==0 case in atom.cpp and using Force::pair_match() as suggested. Internal timing stuffs need work.

2023-01-15 15:41:54 -06:00

..

etc/profile.d

correct shell profile variables to point to the installation directory

2019-07-26 09:58:18 -04:00

gpu

GPU: clean up part 2

2017-07-18 18:43:51 -06:00

iwyu

update/correct iwyu additional mappings

2022-02-13 18:20:12 -05:00

Modules

Merge branch 'develop' into amoeba-gpu

2023-01-14 18:36:26 -06:00

pkgconfig

update URLs in some more files

2021-05-24 16:19:37 -04:00

presets

Merge branch 'develop' into lepton-package

2023-01-06 00:44:28 -05:00

.coveragerc.in

Use .coveragerc to configure Python coverage reporting

2021-08-24 11:27:30 -04:00

CMakeLists.jpeg

rename jpeg cmake file for consistency

2022-05-22 17:49:54 -04:00

CMakeLists.png

download, build, and link missing png and zlib libraries with CMake

2022-05-22 17:45:42 -04:00

CMakeLists.txt

Cleaned up commented-out and debugging stuffs, removed irrelevant changes to lj/cut/dipole/cut, reverted unwanted changes in the PPPMGPU destructor, fixed unresolved conflicts in tinker.py, updated the userbinsize==0 case in atom.cpp and using Force::pair_match() as suggested. Internal timing stuffs need work.

2023-01-15 15:41:54 -06:00

CMakeLists.zlib

download, build, and link missing png and zlib libraries with CMake

2022-05-22 17:45:42 -04:00

CMakeSettings.json

Windows portability changes

2022-12-28 20:53:53 -05:00

LAMMPSConfig.cmake.in

cmake: fftw is now a private dep

2020-05-15 13:42:51 -06:00