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0d64aa375d6450aebc5c9abdea1ebcdbb2b0f2c0
lammps/src/AMOEBA
History
Trung Nguyen 64fa32cf1e Removed commented lines
2023-11-09 10:13:23 -06:00
..
amoeba_charge_transfer.cpp
more iwyu updates
2022-12-11 23:40:31 -05:00
amoeba_convolution.cpp
use FFT_SCALAR more consistently to perhaps support single precision FFT some time
2023-01-24 22:32:40 -05:00
amoeba_convolution.h
use FFT_SCALAR more consistently to perhaps support single precision FFT some time
2023-01-24 22:32:40 -05:00
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
more iwyu updates
2022-12-11 23:40:31 -05:00
amoeba_hal.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
amoeba_induce.cpp
rename fix STORE/PERATOM to STORE/ATOM
2023-03-13 22:33:47 -04:00
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
Removed commented lines
2023-11-09 10:13:23 -06:00
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
update developer reference text
2022-10-24 11:08:26 -04:00
angle_amoeba.h
update developer reference text
2022-10-24 11:08:26 -04:00
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
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
fix_amoeba_bitorsion.h
a few more IWYU updates
2022-12-12 09:45:29 -05:00
fix_amoeba_pitorsion.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
fix_amoeba_pitorsion.h
update developer reference text
2022-10-24 11:08:26 -04:00
improper_amoeba.cpp
encode improper symmetries
2023-03-09 22:04:08 -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
Removed commented lines
2023-11-09 10:13:23 -06:00
pair_amoeba.h
Added an RMS accuracy estimate for AMOEBA/HIPPO
2023-10-31 11:03:37 -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