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addd87c0f7a47fd54c3ccfb7edc11a166e2bc2e3
lammps/src/KSPACE
History
Steve Plimpton addd87c0f7 new Section package and start doc pages and build scripts
2017-05-04 11:22:20 -06:00
..
ewald_disp.cpp
added functionity to lib interface
2016-12-13 16:22:17 -07:00
ewald_disp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14582 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-08 16:18:20 +00:00
ewald.cpp
Initialize pointers in KSPACE
2016-11-07 16:54:59 +01:00
ewald.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
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
sync 13Feb17 patch back to GH
2017-02-13 09:05:03 -07:00
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
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -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
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -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
new SNAP potential for W
2017-02-21 15:49:21 -07:00
pair_buck_long_coul_long.h
Fix typos in src files
2017-03-05 21:03:40 -05:00
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
new SNAP potential for W
2017-02-21 15:49:21 -07:00
pair_lj_charmm_coul_long.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15369 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-27 14:04:56 +00:00
pair_lj_charmm_coul_msm.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15369 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-27 14:04:56 +00:00
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
new Section package and start doc pages and build scripts
2017-05-04 11:22:20 -06:00
pair_lj_charmmfsw_coul_long.h
new CHARMM pair styles with force swithing/shifting
2017-03-24 13:53:07 -06:00
pair_lj_cut_coul_long.cpp
new SNAP potential for W
2017-02-21 15:49:21 -07:00
pair_lj_cut_coul_long.h
Fixing a few bugs in Kokkos
2015-02-23 23:45:29 +00:00
pair_lj_cut_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_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
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
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
new SNAP potential for W
2017-02-21 15:49:21 -07:00
pair_lj_long_coul_long.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_lj_long_tip4p_long.cpp
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
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
synchronize pppm/cg with pppm and remove block on triclinic
2016-12-24 16:09:18 -05:00
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
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
pppm_disp_tip4p.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pppm_disp.cpp
avoid segfault when calling PPPM*::memory_usage() before grid communication is initialized
2017-03-28 07:50:48 -04:00
pppm_disp.h
Fix typos in src files
2017-03-05 21:03:40 -05:00
pppm_stagger.cpp
Initialize pointers in KSPACE
2016-11-07 16:54:59 +01:00
pppm_stagger.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pppm_tip4p.cpp
update permissions
2017-03-20 13:51:36 -04:00
pppm_tip4p.h
update permissions
2017-03-20 13:51:36 -04:00
pppm.cpp
avoid segfault when calling PPPM*::memory_usage() before grid communication is initialized
2017-03-28 07:50:48 -04:00
pppm.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
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