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6de4569483e2ea5dd8ee6a1db5d7ee0f7efd7745
lammps/src/KSPACE
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Steven J. Plimpton 5221ac2d55 add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
..
ewald_disp.cpp
avoid division by zero in ewald for empty and uncharged systems. require kspace_modify gewald
2018-01-05 20:14:25 -05:00
ewald_disp.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
ewald.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ewald.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
fft3d_wrap.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
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
remove trailing whitespace
2018-03-16 12:37:27 -04:00
fft3d.h
remove support for obsolete legacy FFT libraries and point -DFFT_FFTW to FFTW3
2017-02-02 08:10:23 -05:00
fix_tune_kspace.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-15 16:08:22 +00:00
fix_tune_kspace.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
gridcomm.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-06 22:47:51 +00:00
msm_cg.cpp
Initialize pointers in KSPACE
2016-11-07 16:54:59 +01:00
msm_cg.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
msm.cpp
Initialize pointers in KSPACE
2016-11-07 16:54:59 +01:00
msm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_born_coul_long.cpp
avoid division by zero when using cutoff 0.0 with pair_modify shift yes
2017-07-14 23:33:00 -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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
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
avoid division by zero when using cutoff 0.0 with pair_modify shift yes
2017-07-14 23:33:00 -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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
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
replace leading tabs
2018-03-16 12:34:33 -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
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
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 changes to rRESPA neighbor lists
2017-10-17 17:33:01 -06:00
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
more changes to rRESPA neighbor lists
2017-10-17 17:33:01 -06:00
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
remove trailing whitespace
2018-03-16 12:37:27 -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 changes to rRESPA neighbor lists
2017-10-17 17:33:01 -06:00
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
more changes to rRESPA neighbor lists
2017-10-17 17:33:01 -06:00
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
correct the inner loop range for resetting cutoffs when redefining a pair style
2017-05-16 00:26:18 -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
cleanup embedded or trailing tabs
2018-03-16 13:21:54 -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
cleanup embedded or trailing tabs
2018-03-16 13:21:54 -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
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
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
remove trailing whitespace
2018-03-16 12:37:27 -04:00
pppm_cg.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
pppm_disp_tip4p.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
pppm_disp_tip4p.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pppm_disp.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
pppm_disp.h
replace leading tabs
2018-03-16 12:34:33 -04:00
pppm_stagger.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
pppm_stagger.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pppm_tip4p.cpp
correct find_M() function in pppm/tip4p to properly account for ghost atoms not being in lamda space with triclinic cells
2017-06-22 17:36:18 -04:00
pppm_tip4p.h
correct find_M() function in pppm/tip4p to properly account for ghost atoms not being in lamda space with triclinic cells
2017-06-22 17:36:18 -04:00
pppm.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
pppm.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
remap_wrap.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
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