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782ca9e0ff366c8a2e540bfc08d558155357fac5
lammps/src/EXTRA-COMPUTE
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Axel Kohlmeyer e52eb81839 make use of std::swap()
2023-09-18 16:51:19 -04:00
..
compute_ackland_atom.cpp
make use of std::swap()
2023-09-18 16:51:19 -04:00
compute_ackland_atom.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_adf.cpp
remove more duplicate semicolons
2023-06-25 06:02:17 -04:00
compute_adf.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_ave_sphere_atom.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
compute_ave_sphere_atom.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_basal_atom.cpp
make use of std::swap()
2023-09-18 16:51:19 -04:00
compute_basal_atom.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_born_matrix.cpp
more iwyu updates
2022-12-11 23:40:31 -05:00
compute_born_matrix.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_cnp_atom.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
compute_cnp_atom.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_composition_atom.cpp
rename compute local/comp/atom to composition/atom
2023-08-23 14:06:44 -04:00
compute_composition_atom.h
rename compute local/comp/atom to composition/atom
2023-08-23 14:06:44 -04:00
compute_dipole_tip4p_chunk.cpp
Introduce ComputeChunk class with shared functionality of all /chunk computes
2023-03-18 05:55:03 -04:00
compute_dipole_tip4p_chunk.h
Introduce ComputeChunk class with shared functionality of all /chunk computes
2023-03-18 05:55:03 -04:00
compute_dipole_tip4p.cpp
use consistent names in error messages
2023-03-11 18:12:09 -05:00
compute_dipole_tip4p.h
add compute dipole/tip4p and compute dipole/tip4p/chunk
2023-03-11 18:12:09 -05:00
compute_efield_wolf_atom.cpp
plug small memory leak
2023-01-08 04:43:14 -05:00
compute_efield_wolf_atom.h
new command compute efield/wolf/atom
2022-12-08 06:32:17 -05:00
compute_entropy_atom.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
compute_entropy_atom.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_gyration_shape_chunk.cpp
Introduce ComputeChunk class with shared functionality of all /chunk computes
2023-03-18 05:55:03 -04:00
compute_gyration_shape_chunk.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_gyration_shape.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
compute_gyration_shape.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_hexorder_atom.cpp
make use of std::swap()
2023-09-18 16:51:19 -04:00
compute_hexorder_atom.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_hma.cpp
modernize lookup of fixes
2023-04-02 17:46:42 -04:00
compute_hma.h
rename fix STORE/PERATOM to STORE/ATOM
2023-03-13 22:33:47 -04:00
compute_momentum.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
compute_momentum.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_msd_nongauss.cpp
rename fix STORE/PERATOM to STORE/ATOM
2023-03-13 22:33:47 -04:00
compute_msd_nongauss.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_stress_cartesian.cpp
use references instead of copies when looping over list of selected fixes
2023-08-03 11:00:05 -04:00
compute_stress_cartesian.h
Add optional keywords to arguments for ke/pair/bond forces
2023-06-07 16:03:32 +02:00
compute_stress_cylinder.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
compute_stress_cylinder.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_stress_mop_profile.cpp
enable and apply clang-format
2023-06-26 10:59:03 -04:00
compute_stress_mop_profile.h
LAMMPS programming style/conventions updates
2023-06-07 05:11:53 -04:00
compute_stress_mop.cpp
enable and apply clang-format
2023-06-26 10:59:03 -04:00
compute_stress_mop.h
LAMMPS programming style/conventions updates
2023-06-07 05:11:53 -04:00
compute_stress_spherical.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
compute_stress_spherical.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_temp_rotate.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
compute_temp_rotate.h
update developer reference text
2022-10-24 11:08:26 -04:00
compute_ti.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
compute_ti.h
update developer reference text
2022-10-24 11:08:26 -04:00