Evangelos Voyiatzis 0c61cb02cc add extract() function to angle_amoeba.cpp

2024-10-14 09:42:04 +02:00

..

amoeba_charge_transfer.cpp

more iwyu updates

2022-12-11 23:40:31 -05:00

amoeba_convolution.cpp

second round of include-what-you-use updates

2024-02-28 15:37:13 -05:00

amoeba_convolution.h

apply clang-format

2024-07-31 06:49:55 -04:00

amoeba_dispersion.cpp

use FFT_SCALAR more consistently to perhaps support single precision FFT some time

2023-01-24 22:32:40 -05:00

amoeba_file.cpp

silence compiler warnings

2024-08-19 00:04:50 -04:00

amoeba_hal.cpp

update developer reference text

2022-10-24 11:08:26 -04:00

amoeba_induce.cpp

even more define to static constexpr conversions

2024-01-25 02:17:28 -05:00

amoeba_kspace.cpp

use FFT_SCALAR more consistently to perhaps support single precision FFT some time

2023-01-24 22:32:40 -05:00

amoeba_multipole.cpp

remove unused constants

2024-02-05 20:26:23 -05:00

amoeba_polar.cpp

use FFT_SCALAR more consistently to perhaps support single precision FFT some time

2023-01-24 22:32:40 -05:00

amoeba_repulsion.cpp

more iwyu updates

2022-12-11 23:40:31 -05:00

amoeba_utils.cpp

rename fix STORE/PERATOM to STORE/ATOM

2023-03-13 22:33:47 -04:00

angle_amoeba.cpp

add extract() function to angle_amoeba.cpp

2024-10-14 09:42:04 +02:00

angle_amoeba.h

add extract() function to angle_amoeba.h

2024-10-14 09:41:23 +02:00

atom_vec_amoeba.cpp

getting out of the insurance business :-)

2023-01-23 16:45:41 -05:00

atom_vec_amoeba.h

use virtual inheritance consistently for all atom styles

2022-12-12 20:37:30 -05:00

fix_amoeba_bitorsion.cpp

initialize static string buffers to empty strings

2024-01-19 00:02:50 -05:00

fix_amoeba_bitorsion.h

a few more IWYU updates

2022-12-12 09:45:29 -05:00

fix_amoeba_pitorsion.cpp

even more define to static constexpr conversions

2024-01-25 02:17:28 -05:00

fix_amoeba_pitorsion.h

update developer reference text

2022-10-24 11:08:26 -04:00

improper_amoeba.cpp

remove unused constants

2024-02-05 20:26:23 -05:00

improper_amoeba.h

update developer reference text

2022-10-24 11:08:26 -04:00

Install.sh

AMOEBA package has a "hard" dependency on KSPACE

2022-04-28 19:35:55 -04:00

pair_amoeba.cpp

implement clang-tidy fixes

2024-02-09 06:22:10 -05:00

pair_amoeba.h

second round of include-what-you-use updates

2024-02-28 15:37:13 -05:00

pair_hippo.cpp

update developer reference text

2022-10-24 11:08:26 -04:00

pair_hippo.h

update developer reference text

2022-10-24 11:08:26 -04:00