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ewald.cpp
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move two_charge_force calc to occur at init, not constructor
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2020-01-21 14:24:55 -07:00 |
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ewald.h
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port documentation spelling fixes to comments or strings in source code.
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2018-11-19 16:15:24 -05:00 |
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ewald_dipole.cpp
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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ewald_dipole.h
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some more whitespace cleanup
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2019-09-17 12:05:04 -04:00 |
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ewald_dipole_spin.cpp
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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ewald_dipole_spin.h
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whitespace cleanup: remove trailing blanks
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2019-11-03 11:03:39 -05:00 |
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ewald_disp.cpp
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add call to KSpace::two_charge() that was overlooked
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2020-01-22 14:46:57 -05:00 |
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ewald_disp.h
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port documentation spelling fixes to comments or strings in source code.
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2018-11-19 16:15:24 -05:00 |
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fft3d.cpp
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make KOKKOS and KSPACE FFT3d code more consistent and remove redundant code
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2020-01-29 16:37:29 -05:00 |
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fft3d.h
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properly support threaded FFTs with MKL and document it. remove commented out FFTW2 code
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2020-01-27 11:00:57 -05:00 |
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fft3d_wrap.cpp
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putting implementation header first in package folder sources
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2019-07-03 19:58:25 -04:00 |
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fft3d_wrap.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-14 22:28:09 +00:00 |
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fix_tune_kspace.cpp
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more use of utils::sfread()
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2019-10-17 17:06:12 -04:00 |
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fix_tune_kspace.h
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increase buffer size of fix tune/kspace. header cleanup. remove use of iostreams
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2019-06-27 20:50:25 -04:00 |
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gridcomm.cpp
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clean up includes in KSPACE package
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2019-07-06 10:20:13 -04:00 |
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gridcomm.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-12-02 02:15:39 +00:00 |
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kissfft.h
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more changes to doc pages and CMakeLists.txt
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2018-08-14 15:44:25 -06:00 |
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msm.cpp
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Convert characters to UTF-8
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2020-03-23 09:42:46 -04:00 |
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msm.h
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minor tweaks to already processed files
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2019-07-08 16:22:55 -04:00 |
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msm_cg.cpp
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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msm_cg.h
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kspace refactor compiles for KSPACE and USER-OMP
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2018-10-19 15:11:37 -04:00 |
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pair_born_coul_long.cpp
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initialize cut_respa to NULL in constructor to avoid uninitialized access
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2020-02-14 15:51:38 -05:00 |
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pair_born_coul_long.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-21 17:09:24 +00:00 |
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pair_born_coul_msm.cpp
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clean up includes in KSPACE package
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2019-07-06 10:20:13 -04:00 |
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pair_born_coul_msm.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-23 23:30:50 +00:00 |
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pair_buck_coul_long.cpp
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more use of utils::sfread()
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2019-10-17 17:06:12 -04:00 |
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pair_buck_coul_long.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-27 13:41:29 +00:00 |
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pair_buck_coul_msm.cpp
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complete cleaning includes in some more packages
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2019-07-08 16:45:21 -04:00 |
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pair_buck_coul_msm.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-23 23:30:50 +00:00 |
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pair_buck_long_coul_long.cpp
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initialize cut_respa to NULL in constructor to avoid uninitialized access
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2020-02-14 15:51:38 -05:00 |
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pair_buck_long_coul_long.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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pair_coul_long.cpp
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initialize cut_respa to NULL in constructor to avoid uninitialized access
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2020-02-14 15:51:38 -05:00 |
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pair_coul_long.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-27 13:41:29 +00:00 |
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pair_coul_msm.cpp
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minor tweaks to already processed files
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2019-07-08 16:22:55 -04:00 |
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pair_coul_msm.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-23 23:30:50 +00:00 |
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pair_lj_charmm_coul_long.cpp
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initialize cut_respa to NULL in constructor to avoid uninitialized access
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2020-02-14 15:51:38 -05:00 |
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pair_lj_charmm_coul_long.h
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more changes to rRESPA neighbor lists
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2017-10-17 17:33:01 -06:00 |
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pair_lj_charmm_coul_msm.cpp
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complete cleaning includes in some more packages
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2019-07-08 16:45:21 -04:00 |
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pair_lj_charmm_coul_msm.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-23 23:30:50 +00:00 |
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pair_lj_charmmfsw_coul_long.cpp
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initialize cut_respa to NULL in constructor to avoid uninitialized access
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2020-02-14 15:51:38 -05:00 |
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pair_lj_charmmfsw_coul_long.h
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more whitespace cleanup
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2018-03-15 22:02:02 -04:00 |
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pair_lj_cut_coul_long.cpp
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initialize cut_respa to NULL in constructor to avoid uninitialized access
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2020-02-14 15:51:38 -05:00 |
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pair_lj_cut_coul_long.h
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more changes to rRESPA neighbor lists
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2017-10-17 17:33:01 -06:00 |
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pair_lj_cut_coul_msm.cpp
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complete cleaning includes in some more packages
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2019-07-08 16:45:21 -04:00 |
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pair_lj_cut_coul_msm.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-23 23:30:50 +00:00 |
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pair_lj_cut_tip4p_long.cpp
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more use of utils::sfread()
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2019-10-17 17:06:12 -04:00 |
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pair_lj_cut_tip4p_long.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-21 17:09:24 +00:00 |
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pair_lj_long_coul_long.cpp
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initialize cut_respa to NULL in constructor to avoid uninitialized access
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2020-02-14 15:51:38 -05:00 |
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pair_lj_long_coul_long.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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pair_lj_long_tip4p_long.cpp
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more use of utils::sfread()
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2019-10-17 17:06:12 -04:00 |
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pair_lj_long_tip4p_long.h
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remove executable permissions on non-executables and non-scripts
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2016-09-08 14:45:07 -04:00 |
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pair_tip4p_long.cpp
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more use of utils::sfread()
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2019-10-17 17:06:12 -04:00 |
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pair_tip4p_long.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-21 17:09:24 +00:00 |
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pppm.cpp
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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pppm.h
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fix up LMP_FFT_LIB for reporting FFT lib in use for KOKKOS with CUDA logic
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2020-01-22 15:18:59 -05:00 |
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pppm_cg.cpp
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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pppm_cg.h
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kspace refactor compiles for KSPACE and USER-OMP
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2018-10-19 15:11:37 -04:00 |
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pppm_dipole.cpp
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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pppm_dipole.h
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whitespace cleanup: remove trailing blanks
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2019-11-03 11:03:39 -05:00 |
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pppm_dipole_spin.cpp
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move two_charge_force calc to occur at init, not constructor
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2020-01-21 14:24:55 -07:00 |
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pppm_dipole_spin.h
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whitespace cleanup: remove trailing blanks
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2019-11-03 11:03:39 -05:00 |
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pppm_disp.cpp
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Merge branch 'master' into collected-small-changes
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2020-03-18 20:59:16 -04:00 |
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pppm_disp.h
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fix up LMP_FFT_LIB for reporting FFT lib in use for KOKKOS with CUDA logic
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2020-01-22 15:18:59 -05:00 |
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pppm_disp_tip4p.cpp
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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pppm_disp_tip4p.h
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kspace refactor compiles for KSPACE and USER-OMP
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2018-10-19 15:11:37 -04:00 |
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pppm_stagger.cpp
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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pppm_stagger.h
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kspace refactor compiles for KSPACE and USER-OMP
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2018-10-19 15:11:37 -04:00 |
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pppm_tip4p.cpp
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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pppm_tip4p.h
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kspace refactor compiles for KSPACE and USER-OMP
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2018-10-19 15:11:37 -04:00 |
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remap.cpp
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clean up includes in KSPACE package
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2019-07-06 10:20:13 -04:00 |
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remap.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-14 22:28:09 +00:00 |
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remap_wrap.cpp
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putting implementation header first in package folder sources
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2019-07-03 19:58:25 -04:00 |
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remap_wrap.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-14 22:28:09 +00:00 |
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