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lammps/src/KSPACE
History
Axel Kohlmeyer df23460e18 Merge branch 'master' into fft 
# Conflicts:
#	src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpi
2020-01-23 00:22:38 -05:00
..
ewald_dipole_spin.cpp
move two_charge_force calc to occur at init, not constructor
2020-01-21 14:24:55 -07:00
ewald_dipole_spin.h
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
ewald_dipole.cpp
move two_charge_force calc to occur at init, not constructor
2020-01-21 14:24:55 -07:00
ewald_dipole.h
some more whitespace cleanup
2019-09-17 12:05:04 -04:00
ewald_disp.cpp
add call to KSpace::two_charge() that was overlooked
2020-01-22 14:46:57 -05:00
ewald_disp.h
port documentation spelling fixes to comments or strings in source code.
2018-11-19 16:15:24 -05:00
ewald.cpp
move two_charge_force calc to occur at init, not constructor
2020-01-21 14:24:55 -07:00
ewald.h
port documentation spelling fixes to comments or strings in source code.
2018-11-19 16:15:24 -05:00
fft3d_wrap.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
fft3d_wrap.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-14 22:28:09 +00:00
fft3d.cpp
Merge branch 'master' into fft
2019-09-12 15:51:02 -04:00
fft3d.h
recover compilation of KSPACE package
2019-07-03 21:56:29 -04:00
fix_tune_kspace.cpp
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
fix_tune_kspace.h
increase buffer size of fix tune/kspace. header cleanup. remove use of iostreams
2019-06-27 20:50:25 -04:00
gridcomm.cpp
clean up includes in KSPACE package
2019-07-06 10:20:13 -04:00
gridcomm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-12-02 02:15:39 +00:00
kissfft.h
more changes to doc pages and CMakeLists.txt
2018-08-14 15:44:25 -06:00
msm_cg.cpp
clean up includes in KSPACE package
2019-07-06 10:20:13 -04:00
msm_cg.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
msm.cpp
move two_charge_force calc to occur at init, not constructor
2020-01-21 14:24:55 -07:00
msm.h
minor tweaks to already processed files
2019-07-08 16:22:55 -04:00
pair_born_coul_long.cpp
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
pair_born_coul_long.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_born_coul_msm.cpp
clean up includes in KSPACE package
2019-07-06 10:20:13 -04:00
pair_born_coul_msm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_buck_coul_long.cpp
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
pair_buck_coul_long.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-27 13:41:29 +00:00
pair_buck_coul_msm.cpp
complete cleaning includes in some more packages
2019-07-08 16:45:21 -04:00
pair_buck_coul_msm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_buck_long_coul_long.cpp
Merge branch 'master' into fix-compiler-warnings
2019-10-25 14:07:50 -04:00
pair_buck_long_coul_long.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pair_coul_long.cpp
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
pair_coul_long.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-27 13:41:29 +00:00
pair_coul_msm.cpp
minor tweaks to already processed files
2019-07-08 16:22:55 -04:00
pair_coul_msm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_lj_charmm_coul_long.cpp
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
pair_lj_charmm_coul_long.h
more changes to rRESPA neighbor lists
2017-10-17 17:33:01 -06:00
pair_lj_charmm_coul_msm.cpp
complete cleaning includes in some more packages
2019-07-08 16:45:21 -04:00
pair_lj_charmm_coul_msm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_lj_charmmfsw_coul_long.cpp
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
pair_lj_charmmfsw_coul_long.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
pair_lj_cut_coul_long.cpp
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
pair_lj_cut_coul_long.h
more changes to rRESPA neighbor lists
2017-10-17 17:33:01 -06:00
pair_lj_cut_coul_msm.cpp
complete cleaning includes in some more packages
2019-07-08 16:45:21 -04:00
pair_lj_cut_coul_msm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_lj_cut_tip4p_long.cpp
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
pair_lj_cut_tip4p_long.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_lj_long_coul_long.cpp
Merge branch 'master' into fix-compiler-warnings
2019-10-25 14:07:50 -04:00
pair_lj_long_coul_long.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pair_lj_long_tip4p_long.cpp
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
pair_lj_long_tip4p_long.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_tip4p_long.cpp
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
pair_tip4p_long.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pppm_cg.cpp
clean up includes in KSPACE package
2019-07-06 10:20:13 -04:00
pppm_cg.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
pppm_dipole_spin.cpp
move two_charge_force calc to occur at init, not constructor
2020-01-21 14:24:55 -07:00
pppm_dipole_spin.h
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
pppm_dipole.cpp
move two_charge_force calc to occur at init, not constructor
2020-01-21 14:24:55 -07:00
pppm_dipole.h
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
pppm_disp_tip4p.cpp
clean up includes in KSPACE package
2019-07-06 10:20:13 -04:00
pppm_disp_tip4p.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
pppm_disp.cpp
move two_charge_force calc to occur at init, not constructor
2020-01-21 14:24:55 -07:00
pppm_disp.h
fix up LMP_FFT_LIB for reporting FFT lib in use for KOKKOS with CUDA logic
2020-01-22 15:18:59 -05:00
pppm_stagger.cpp
clean up includes in KSPACE package
2019-07-06 10:20:13 -04:00
pppm_stagger.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
pppm_tip4p.cpp
fix typo and port find_M() code to USER-OMP version
2019-10-14 07:53:24 -04:00
pppm_tip4p.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
pppm.cpp
move two_charge_force calc to occur at init, not constructor
2020-01-21 14:24:55 -07:00
pppm.h
fix up LMP_FFT_LIB for reporting FFT lib in use for KOKKOS with CUDA logic
2020-01-22 15:18:59 -05:00
remap_wrap.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
remap_wrap.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-14 22:28:09 +00:00
remap.cpp
clean up includes in KSPACE package
2019-07-06 10:20:13 -04:00
remap.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-14 22:28:09 +00:00