lammps

ewald_disp.cpp

import enum{GEOMETRIC,ARITHMETIC,SIXTHPOWER} from pair.h

2018-05-10 01:32:57 -04:00

ewald_disp.h

add placeholders to include files for error messges

2018-04-03 17:48:31 -06:00

ewald.cpp

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -04:00

fix_tune_kspace.h

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -04:00

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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -04:00

msm_cg.cpp

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -04:00

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

replace variable length array in msm with new/delete

2018-05-04 18:09:25 -04:00

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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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 C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

import enum{GEOMETRIC,ARITHMETIC,SIXTHPOWER} from pair.h

2018-05-10 01:32:57 -04:00

pppm_disp.h

replace leading tabs

2018-03-16 12:34:33 -04:00

pppm_stagger.cpp

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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

replace C-style include files with their C++ equivalents

2018-04-27 18:00:24 -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