Richard Berger 7caf6cf459 Change how a Python pair style is loaded ... Implements a class loader which takes a fully qualified Python class name, loads the module and creates an object instance. To add flexibility, the current working directory and the directory specified by the LAMMPS_POTENTIALS environment variable are added to the module search path.		2017-05-16 23:29:48 -04:00
..
ASPHERE	when computing only rotational temperature, we must not subtract the default n-dim extra DOFs	2017-04-07 15:11:26 -04:00
BODY	Initialized pointers in BODY	2016-11-07 16:21:08 +01:00
CLASS2	Add copymode protection to class2 styles	2017-02-15 13:56:16 -07:00
COLLOID	Fix more typos in src files	2017-03-07 00:55:01 -05:00
COMPRESS	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
CORESHELL	Merge pull request #268 from arielzn/born_dsf	2016-11-09 11:57:09 -07:00
DEPEND	Fix more typos in src files	2017-03-07 00:55:01 -05:00
DIPOLE	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
GPU	change references from cg_cmm to lj_sdk and from cmm to sdk	2017-04-26 19:44:25 -04:00
GRANULAR	remove dead code and reduce trivial compiler warnings (clang++)	2017-03-27 14:28:50 -04:00
KIM	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
KOKKOS	jive Kokkos/reaxc file names with new user-reaxc file names	2017-05-04 14:46:59 -06:00
KSPACE	Merge pull request #452 from akohlmey/small-fixes-and-updates	2017-05-04 11:23:23 -06:00
MAKE	new neigh_modify exclude option, other SNAP changes	2017-03-07 09:31:12 -07:00
MANYBODY	new CHARMM pair styles with force swithing/shifting	2017-03-24 13:53:07 -06:00
MC	patch 13Apr17	2017-04-13 11:19:48 -06:00
MEAM	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
MISC	fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof	2017-03-23 15:31:27 -06:00
MOLECULE	new Section package and start doc pages and build scripts	2017-05-04 11:22:20 -06:00
MPIIO	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
MSCG	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
OPT	remove dead code and reduce trivial compiler warnings (clang++)	2017-03-27 14:28:50 -04:00
PERI	Initializing pointers in PERI, QEQ and REPLICA	2016-11-07 19:58:27 +01:00
POEMS	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
PYTHON	Change how a Python pair style is loaded	2017-05-16 23:29:48 -04:00
QEQ	fix typos	2017-04-17 17:52:06 -04:00
REAX	add support for gzip compressed output to fix reax/bonds, reax/c/bonds and reax/c/species	2017-05-10 11:19:18 -04:00
REPLICA	fix gcmc updates from Aidan, trimming of output for replica commands	2017-04-11 08:35:09 -06:00
RIGID	new Section package and start doc pages and build scripts	2017-05-04 11:22:20 -06:00
SHOCK	Spelling fixes in source files	2017-03-05 18:30:39 -05:00
SNAP	new Section package and start doc pages and build scripts	2017-05-04 11:22:20 -06:00
SRD	Fix typos in src files	2017-03-05 21:03:40 -05:00
STUBS	add support for MPI_Request_free() to MPI STUBS library	2017-03-17 11:40:09 -04:00
USER-ATC	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
USER-AWPMD	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
USER-CGDNA	Updated README	2017-03-29 11:18:04 +01:00
USER-CGSDK	update the README for USER-CGSDK	2017-04-26 19:35:54 -04:00
USER-COLVARS	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
USER-DIFFRACTION	Fix typos in src files	2017-03-05 21:03:40 -05:00
USER-DPD	remove dead code and reduce trivial compiler warnings (clang++)	2017-03-27 14:28:50 -04:00
USER-DRUDE	remove dead code and reduce trivial compiler warnings (clang++)	2017-03-27 14:28:50 -04:00
USER-EFF	tweaked author syntax	2016-11-22 08:15:13 -07:00
USER-FEP	pair TIP4P bug fix for cutoffs >> box size	2017-01-06 09:57:27 -07:00
USER-H5MD	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
USER-INTEL	simplified neighbor list copying to avoid possible same-timestep re-build issues	2017-01-19 17:01:15 -07:00
USER-LB	Fix more typos in src files	2017-03-07 00:55:01 -05:00
USER-MANIFOLD	remove debug printf	2017-04-04 17:54:33 +00:00
USER-MGPT	new SNAP potential for W	2017-02-21 15:49:21 -07:00
USER-MISC	Merge pull request #466 from DallasTrinkle/meam-spline-multicomponent	2017-05-11 09:22:25 -06:00
USER-MOLFILE	update VMD molfile plugin headers and move them to lib/molfile (where they belong)	2017-04-18 11:42:31 -04:00
USER-NETCDF	new Section package and start doc pages and build scripts	2017-05-04 11:22:20 -06:00
USER-OMP	Merge pull request #466 from DallasTrinkle/meam-spline-multicomponent	2017-05-11 09:22:25 -06:00
USER-PHONON	tweaked author syntax	2016-11-22 08:15:13 -07:00
USER-QMMM	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
USER-QTB	Fix typos in src files	2017-03-05 21:03:40 -05:00
USER-QUIP	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
USER-REAXC	add support for gzip compressed output to fix reax/bonds, reax/c/bonds and reax/c/species	2017-05-10 11:19:18 -04:00
USER-SMD	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
USER-SMTBQ	remove dead code and reduce trivial compiler warnings (clang++)	2017-03-27 14:28:50 -04:00
USER-SPH	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
USER-TALLY	turn errors from manybody potentials for */tally computes into warnings	2017-04-22 21:50:27 -04:00
USER-VTK	Fix segmentation fault in dump vtk	2017-05-10 19:51:14 -04:00
VORONOI	propagate global package installation bugfix to explicit package scripts	2017-04-07 15:29:56 -04:00
.gitignore	Extract common wrappers to Python compatibility header	2017-05-15 17:46:57 -04:00
Depend.sh	rename USER-CG-CMM folder to USER-CGSDK	2017-04-26 19:29:39 -04:00
Install.sh	address issue where uninstalling an empty package will erase all code in src	2017-04-06 11:08:57 -04:00
Make.py	change purge target in Makefile, also fixed one issue with Make.py	2016-09-30 09:17:55 -06:00
Make.sh	restore locale and enforce grep option squashing	2016-09-09 15:42:14 -04:00
Makefile	neighbor list bugfix to prevent cycle in copy lists	2017-05-09 08:55:18 -06:00
Makefile.list	remove pair_zhou from Makefile.list	2017-03-18 20:48:49 -04:00
Makefile.package.empty	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13579 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2015-07-14 17:39:05 +00:00
Makefile.package.settings.empty	…
Package.sh	enforce C or POSIX locale in all shell scripts and turn of enforced global grep options	2016-08-27 01:57:45 -04:00
Purge.list	correct some more omitted updates	2017-05-09 18:14:34 -04:00
accelerator_kokkos.h	sync with SVN	2016-11-08 08:57:51 -07:00
accelerator_omp.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11285 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2014-01-21 22:09:05 +00:00
angle.cpp	Adding alloc flag to ev_setup	2017-03-08 12:36:23 -07:00
angle.h	Adding alloc flag to ev_setup	2017-03-08 12:36:23 -07:00
angle_hybrid.cpp	sync GHub with SVN	2017-01-26 14:06:43 -07:00
angle_hybrid.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
angle_zero.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
angle_zero.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14868 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-04-22 17:54:49 +00:00
atom.cpp	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
atom.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
atom_map.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
atom_masks.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
atom_vec.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-05-31 16:20:32 +00:00
atom_vec.h	changes to imbalance weight factors	2016-10-05 10:33:39 -06:00
atom_vec_atomic.cpp	fix spring doc page update	2017-01-17 09:02:56 -07:00
atom_vec_atomic.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
atom_vec_body.cpp	fix spring doc page update	2017-01-17 09:02:56 -07:00
atom_vec_body.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
atom_vec_charge.cpp	fix spring doc page update	2017-01-17 09:02:56 -07:00
atom_vec_charge.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
atom_vec_ellipsoid.cpp	fix spring doc page update	2017-01-17 09:02:56 -07:00
atom_vec_ellipsoid.h	remove executable permissions on non-executables and non-scripts	2016-09-08 14:45:07 -04:00
atom_vec_hybrid.cpp	Fix more typos in src files	2017-03-07 00:55:01 -05:00
atom_vec_hybrid.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
atom_vec_line.cpp	fix spring doc page update	2017-01-17 09:02:56 -07:00
atom_vec_line.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14480 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-01-23 00:49:16 +00:00
atom_vec_sphere.cpp	fix spring doc page update	2017-01-17 09:02:56 -07:00
atom_vec_sphere.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
atom_vec_tri.cpp	fix spring doc page update	2017-01-17 09:02:56 -07:00
atom_vec_tri.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
balance.cpp	fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof	2017-03-23 15:31:27 -06:00
balance.h	change to RCB cuts in load-balancing commands, also a new option for fix halt	2017-03-10 15:55:07 -07:00
body.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
body.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14421 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-01-11 22:00:29 +00:00
bond.cpp	Made fix adapt work with bond_harmonic.	2017-04-04 12:35:26 -04:00
bond.h	Made fix adapt work with bond_harmonic.	2017-04-04 12:35:26 -04:00
bond_hybrid.cpp	sync GHub with SVN	2017-01-26 14:06:43 -07:00
bond_hybrid.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
bond_zero.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
bond_zero.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14868 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-04-22 17:54:49 +00:00
change_box.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
change_box.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
citeme.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
citeme.h	Spelling fixes in source files	2017-03-05 18:30:39 -05:00
comm.cpp	fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof	2017-03-23 15:31:27 -06:00
comm.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15187 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 17:39:55 +00:00
comm_brick.cpp	fix spring doc page update	2017-01-17 09:02:56 -07:00
comm_brick.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15187 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 17:39:55 +00:00
comm_tiled.cpp	remove dead code and reduce trivial compiler warnings (clang++)	2017-03-27 14:28:50 -04:00
comm_tiled.h	changes to imbalance weight factors	2016-10-05 10:33:39 -06:00
compute.cpp	fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof	2017-03-23 15:31:27 -06:00
compute.h	changes to imbalance weight factors	2016-10-05 10:33:39 -06:00
compute_angle.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:02 -04:00
compute_angle.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_angle_local.cpp	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_angle_local.h	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_angmom_chunk.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:02 -04:00
compute_angmom_chunk.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13286 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2015-03-25 15:50:57 +00:00
compute_bond.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:02 -04:00
compute_bond.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_bond_local.cpp	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_bond_local.h	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_centro_atom.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:02 -04:00
compute_centro_atom.h	Added axes keyword	2016-07-27 23:06:18 +00:00
compute_chunk_atom.cpp	Merge pull request #393 from akohlmey/small-bugfixes	2017-03-07 09:56:03 -07:00
compute_chunk_atom.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_cluster_atom.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:02 -04:00
compute_cluster_atom.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
compute_cna_atom.cpp	fix off-by one bug when looking for bonds.	2016-08-28 14:20:43 -04:00
compute_cna_atom.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_com.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15100 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-02 14:08:20 +00:00
compute_com.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
compute_com_chunk.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:02 -04:00
compute_com_chunk.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15170 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-14 22:14:34 +00:00
compute_contact_atom.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
compute_contact_atom.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_coord_atom.cpp	remove unused variable	2017-01-25 15:40:52 -07:00
compute_coord_atom.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_dihedral.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:03 -04:00
compute_dihedral.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_dihedral_local.cpp	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_dihedral_local.h	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_dipole_chunk.cpp	new Section package and start doc pages and build scripts	2017-05-04 11:22:20 -06:00
compute_dipole_chunk.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-04-22 15:55:54 +00:00
compute_displace_atom.cpp	individual computes do not need to set vector/array to NULL. reordering fixes to silence compiler warnings	2016-08-30 06:41:02 -04:00
compute_displace_atom.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2015-01-28 15:55:56 +00:00
compute_erotate_sphere.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
compute_erotate_sphere.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
compute_erotate_sphere_atom.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:03 -04:00
compute_erotate_sphere_atom.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
compute_global_atom.cpp	new compute global/atom command, also bug fix for descending dump sorts	2016-11-30 14:01:27 -07:00
compute_global_atom.h	new compute global/atom command, also bug fix for descending dump sorts	2016-11-30 14:01:27 -07:00
compute_group_group.cpp	patch 12Feb17 - change int to tagint for compute group/group	2017-02-13 08:40:54 -07:00
compute_group_group.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_gyration.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-06 23:21:39 +00:00
compute_gyration.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
compute_gyration_chunk.cpp	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_gyration_chunk.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
compute_heat_flux.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:03 -04:00
compute_heat_flux.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
compute_hexorder_atom.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:03 -04:00
compute_hexorder_atom.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_improper.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:03 -04:00
compute_improper.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_improper_local.cpp	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_improper_local.h	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_inertia_chunk.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:03 -04:00
compute_inertia_chunk.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
compute_ke.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
compute_ke.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
compute_ke_atom.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:03 -04:00
compute_ke_atom.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
compute_msd.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:03 -04:00
compute_msd.h	Added average keyword	2015-12-02 05:06:52 +00:00
compute_msd_chunk.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:03 -04:00
compute_msd_chunk.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
compute_omega_chunk.cpp	sync with 7Sep16 patch	2016-09-06 17:00:32 -06:00
compute_omega_chunk.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13286 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2015-03-25 15:50:57 +00:00
compute_orientorder_atom.cpp	simplified neighbor list copying to avoid possible same-timestep re-build issues	2017-01-19 17:01:15 -07:00
compute_orientorder_atom.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_pair.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:03 -04:00
compute_pair.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_pair_local.cpp	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_pair_local.h	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_pe.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15291 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-07-12 22:59:27 +00:00
compute_pe.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15291 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-07-12 22:59:27 +00:00
compute_pe_atom.cpp	remove executable permissions on non-executables and non-scripts	2016-09-08 14:45:07 -04:00
compute_pe_atom.h	remove executable permissions on non-executables and non-scripts	2016-09-08 14:45:07 -04:00
compute_pressure.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:03 -04:00
compute_pressure.h	initial import of adapted gREM code by David Stelter and Edyta Malolepsza	2016-11-13 18:44:10 -05:00
compute_property_atom.cpp	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_property_atom.h	remove vector/array class members shadowing the base class	2016-08-30 07:04:54 -04:00
compute_property_chunk.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:03 -04:00
compute_property_chunk.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_property_local.cpp	remove dead code and reduce trivial compiler warnings (clang++)	2017-03-27 14:28:50 -04:00
compute_property_local.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
compute_rdf.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
compute_rdf.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
compute_reduce.cpp	Kokkos updates by Stan	2016-11-17 08:58:22 -07:00
compute_reduce.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
compute_reduce_region.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-05-31 16:33:07 +00:00
compute_reduce_region.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
compute_slice.cpp	added functionity to lib interface	2016-12-13 16:22:17 -07:00
compute_slice.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
compute_stress_atom.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:04 -04:00
compute_stress_atom.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
compute_temp.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
compute_temp.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
compute_temp_chunk.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:04 -04:00
compute_temp_chunk.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
compute_temp_com.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
compute_temp_com.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
compute_temp_deform.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-05-31 16:33:07 +00:00
compute_temp_deform.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
compute_temp_partial.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-05-31 16:33:07 +00:00
compute_temp_partial.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
compute_temp_profile.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:04 -04:00
compute_temp_profile.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
compute_temp_ramp.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-05-31 16:33:07 +00:00
compute_temp_ramp.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
compute_temp_region.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:04 -04:00
compute_temp_region.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
compute_temp_sphere.cpp	when computing only rotational temperature, we must not subtract the default n-dim extra DOFs	2017-04-07 15:11:26 -04:00
compute_temp_sphere.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
compute_torque_chunk.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:04 -04:00
compute_torque_chunk.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
compute_vacf.cpp	remove executable permissions on non-executables and non-scripts	2016-09-08 14:45:07 -04:00
compute_vacf.h	remove executable permissions on non-executables and non-scripts	2016-09-08 14:45:07 -04:00
compute_vcm_chunk.cpp	Fixed initialization of arrays in computes	2016-08-24 17:26:04 -04:00
compute_vcm_chunk.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
create_atoms.cpp	Fix more typos in src files	2017-03-07 00:55:01 -05:00
create_atoms.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
create_bonds.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15348 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-07-22 21:19:08 +00:00
create_bonds.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
create_box.cpp	make certain, that atom->maxspecial is incremented with extra special space	2016-10-21 11:55:36 -04:00
create_box.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
delete_atoms.cpp	new library functions	2016-10-27 09:34:04 -06:00
delete_atoms.h	new library functions	2016-10-27 09:34:04 -06:00
delete_bonds.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
delete_bonds.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
dihedral.cpp	Adding alloc flag to ev_setup	2017-03-08 12:36:23 -07:00
dihedral.h	Adding alloc flag to ev_setup	2017-03-08 12:36:23 -07:00
dihedral_hybrid.cpp	sync GHub with SVN	2017-01-26 14:06:43 -07:00
dihedral_hybrid.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
dihedral_zero.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
dihedral_zero.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14868 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-04-22 17:54:49 +00:00
displace_atoms.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14506 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-01-27 20:33:55 +00:00
displace_atoms.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
domain.cpp	new Section package and start doc pages and build scripts	2017-05-04 11:22:20 -06:00
domain.h	new Section package and start doc pages and build scripts	2017-05-04 11:22:20 -06:00
dump.cpp	bug fix for dump sort in descending order	2016-11-23 17:08:36 -07:00
dump.h	fix bug in recent dump changes for -DLAMMPS_BIGBIG	2016-08-22 14:36:47 -04:00
dump_atom.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15428 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-08-03 16:29:35 +00:00
dump_atom.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
dump_cfg.cpp	NULLing ptrs in comm_brick and dump*.cpp	2016-11-07 15:50:18 +01:00
dump_cfg.h	remove executable permissions on non-executables and non-scripts	2016-09-08 14:45:07 -04:00
dump_custom.cpp	Merge pull request #476 from akohlmey/dump_custom_bugfix	2017-05-11 09:27:08 -06:00
dump_custom.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
dump_dcd.cpp	NULLing ptrs in comm_brick and dump*.cpp	2016-11-07 15:50:18 +01:00
dump_dcd.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14602 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 16:10:43 +00:00
dump_image.cpp	NULL ptrs in dump_custom and dump_image	2016-11-07 15:56:47 +01:00
dump_image.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15309 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-07-14 19:42:39 +00:00
dump_local.cpp	NULLing ptrs in comm_brick and dump*.cpp	2016-11-07 15:50:18 +01:00
dump_local.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
dump_movie.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
dump_movie.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11380 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2014-01-29 18:59:46 +00:00
dump_xyz.cpp	NULLing ptrs in comm_brick and dump*.cpp	2016-11-07 15:50:18 +01:00
dump_xyz.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
error.cpp	print the last input line, when error->all() is called	2017-01-09 17:03:06 -05:00
error.h	Make exceptions control flow and functions optional	2016-09-16 18:57:37 -04:00
exceptions.h	Make exceptions control flow and functions optional	2016-09-16 18:57:37 -04:00
finish.cpp	fix gcmc updates from Aidan, trimming of output for replica commands	2017-04-11 08:35:09 -06:00
finish.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
fix.cpp	fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof	2017-03-23 15:31:27 -06:00
fix.h	fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof	2017-03-23 15:31:27 -06:00
fix_adapt.cpp	patch 11Apr17	2017-04-11 09:00:37 -06:00
fix_adapt.h	Made fix adapt work with bond_harmonic.	2017-04-04 12:35:26 -04:00
fix_addforce.cpp	correct bug and synchronize fix addforce respa level init with other fixes	2016-09-27 17:36:02 -04:00
fix_addforce.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
fix_ave_atom.cpp	fix argument indexing bug in fix ave/atom	2016-09-19 23:24:37 -04:00
fix_ave_atom.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
fix_ave_chunk.cpp	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
fix_ave_chunk.h	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
fix_ave_correlate.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_ave_correlate.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
fix_ave_histo.cpp	protect fix ave/histo from segfaulting on non-existing computes, fixes or variables	2017-04-03 18:08:15 -04:00
fix_ave_histo.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15463 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-08-09 14:10:55 +00:00
fix_ave_histo_weight.cpp	Fix typos in src files	2017-03-05 21:03:40 -05:00
fix_ave_histo_weight.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
fix_ave_time.cpp	new compute global/atom command, also bug fix for descending dump sorts	2016-11-30 14:01:27 -07:00
fix_ave_time.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
fix_aveforce.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_aveforce.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_balance.cpp	Fix typos in src files	2017-03-05 21:03:40 -05:00
fix_balance.h	adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh	2016-10-05 15:46:20 -06:00
fix_box_relax.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_box_relax.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
fix_controller.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_controller.h	remove executable permissions on non-executables and non-scripts	2016-09-08 14:45:07 -04:00
fix_deform.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_deform.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
fix_deprecated.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-06 23:21:39 +00:00
fix_deprecated.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15104 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-02 14:14:17 +00:00
fix_drag.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_drag.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_dt_reset.cpp	enable dynamic groups for fix dt/reset	2016-09-30 09:09:44 -04:00
fix_dt_reset.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
fix_enforce2d.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_enforce2d.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15189 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 20:54:47 +00:00
fix_external.cpp	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
fix_external.h	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
fix_gravity.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_gravity.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_group.cpp	support dynamic groups with run style respa	2016-09-29 15:13:46 -04:00
fix_group.h	Fix more typos in src files	2017-03-07 00:55:01 -05:00
fix_halt.cpp	patch 31Mar17 for stable release	2017-03-30 10:07:27 -06:00
fix_halt.h	change to RCB cuts in load-balancing commands, also a new option for fix halt	2017-03-10 15:55:07 -07:00
fix_heat.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_heat.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
fix_indent.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_indent.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_langevin.cpp	added functionity to lib interface	2016-12-13 16:22:17 -07:00
fix_langevin.h	Spelling fixes in source files	2017-03-05 18:30:39 -05:00
fix_lineforce.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
fix_lineforce.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
fix_minimize.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_minimize.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
fix_momentum.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15089 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-05-31 16:50:28 +00:00
fix_momentum.h	fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof	2017-03-23 15:31:27 -06:00
fix_move.cpp	doc page sync with SVN	2016-09-21 20:54:20 -06:00
fix_move.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
fix_nh.cpp	Changed the check on initial and final temperature to <= 0 for both.	2017-03-28 11:22:10 -04:00
fix_nh.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
fix_nh_sphere.cpp	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
fix_nh_sphere.h	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
fix_nph.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-06 23:21:39 +00:00
fix_nph.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
fix_nph_sphere.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-06 23:21:39 +00:00
fix_nph_sphere.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
fix_npt.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-06 23:21:39 +00:00
fix_npt.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
fix_npt_sphere.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-06 23:21:39 +00:00
fix_npt_sphere.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
fix_nve.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
fix_nve.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
fix_nve_limit.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
fix_nve_limit.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
fix_nve_noforce.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
fix_nve_noforce.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
fix_nve_sphere.cpp	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
fix_nve_sphere.h	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
fix_nvt.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-06 23:21:39 +00:00
fix_nvt.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
fix_nvt_sllod.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-06 23:21:39 +00:00
fix_nvt_sllod.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
fix_nvt_sphere.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-06 23:21:39 +00:00
fix_nvt_sphere.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
fix_planeforce.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
fix_planeforce.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
fix_press_berendsen.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_press_berendsen.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
fix_print.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_print.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
fix_property_atom.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_property_atom.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14912 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-04-30 18:07:40 +00:00
fix_read_restart.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_read_restart.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
fix_recenter.cpp	bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with restarting	2016-10-13 16:55:53 -06:00
fix_recenter.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
fix_respa.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_respa.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13757 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2015-07-28 16:04:10 +00:00
fix_restrain.cpp	pair TIP4P bug fix for cutoffs >> box size	2017-01-06 09:57:27 -07:00
fix_restrain.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_setforce.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_setforce.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_shear_history.cpp	Fix typos in src files	2017-03-05 21:03:40 -05:00
fix_shear_history.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15333 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-07-16 20:00:36 +00:00
fix_spring.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_spring.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_spring_chunk.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_spring_chunk.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_spring_rg.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_spring_rg.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_spring_self.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_spring_self.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_store.cpp	added LAST option to dump_modify thresh, more restart info printed out to screen	2016-10-11 12:39:52 -06:00
fix_store.h	sync with SVN	2016-09-23 14:52:45 -06:00
fix_store_force.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_store_force.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
fix_store_state.cpp	patch 17Mar17	2017-03-17 11:29:23 -06:00
fix_store_state.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14423 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-01-11 23:38:16 +00:00
fix_temp_berendsen.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_temp_berendsen.h	…
fix_temp_csld.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_temp_csld.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13320 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2015-03-27 20:39:27 +00:00
fix_temp_csvr.cpp	make certain, that -log() doesn't overflow and assign a suitable maximum number instead.	2016-09-15 14:55:32 -04:00
fix_temp_csvr.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
fix_temp_rescale.cpp	patch to add DPD-VV	2016-10-12 07:35:47 -06:00
fix_temp_rescale.h	…
fix_tmd.cpp	correct logic bug in bufix for fix tmd	2016-10-01 06:26:52 -04:00
fix_tmd.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
fix_vector.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_vector.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
fix_viscous.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_viscous.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_wall.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_wall.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
fix_wall_harmonic.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
fix_wall_harmonic.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11393 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2014-01-30 18:30:18 +00:00
fix_wall_lj93.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
fix_wall_lj93.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
fix_wall_lj126.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
fix_wall_lj126.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
fix_wall_lj1043.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
fix_wall_lj1043.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
fix_wall_reflect.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_wall_reflect.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
fix_wall_region.cpp	Fixed initialization of arrays in fixes	2016-08-28 22:23:22 -04:00
fix_wall_region.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
force.cpp	NULLing pointers after delete	2017-01-04 16:04:05 +01:00
force.h	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
group.cpp	Kokkos lib update	2016-09-08 13:56:18 -06:00
group.h	undo obsoleted changes to group command by iain bethune	2016-08-22 15:23:16 -04:00
image.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
image.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
imbalance.cpp	new verion of balance weighting	2016-09-23 14:37:53 -06:00
imbalance.h	adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh	2016-10-05 15:46:20 -06:00
imbalance_group.cpp	changes to imbalance weight factors	2016-10-05 10:33:39 -06:00
imbalance_group.h	new verion of balance weighting	2016-09-23 14:37:53 -06:00
imbalance_neigh.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
imbalance_neigh.h	new verion of balance weighting	2016-09-23 14:37:53 -06:00
imbalance_store.cpp	new verion of balance weighting	2016-09-23 14:37:53 -06:00
imbalance_store.h	new verion of balance weighting	2016-09-23 14:37:53 -06:00
imbalance_time.cpp	adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh	2016-10-05 15:46:20 -06:00
imbalance_time.h	adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh	2016-10-05 15:46:20 -06:00
imbalance_var.cpp	adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh	2016-10-05 15:46:20 -06:00
imbalance_var.h	adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh	2016-10-05 15:46:20 -06:00
improper.cpp	Adding alloc flag to ev_setup	2017-03-08 12:36:23 -07:00
improper.h	Adding alloc flag to ev_setup	2017-03-08 12:36:23 -07:00
improper_hybrid.cpp	sync GHub with SVN	2017-01-26 14:06:43 -07:00
improper_hybrid.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
improper_zero.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
improper_zero.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14868 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-04-22 17:54:49 +00:00
info.cpp	improve memory usage reporting in info and output class	2017-03-16 18:35:04 -04:00
info.h	provide an accessor for names of LAMMPS variables	2016-10-17 19:56:18 -04:00
input.cpp	print the last input line, when error->all() is called	2017-01-09 17:03:06 -05:00
input.h	print the last input line, when error->all() is called	2017-01-09 17:03:06 -05:00
integrate.cpp	added functionity to lib interface	2016-12-13 16:22:17 -07:00
integrate.h	fix gcmc updates from Aidan, trimming of output for replica commands	2017-04-11 08:35:09 -06:00
irregular.cpp	Revert "In irregular.cpp use simpler and slightly faster MPI_Reduce_scatter_block()"	2017-03-17 11:35:59 -04:00
irregular.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
kspace.cpp	Adding alloc flag to ev_setup	2017-03-08 12:36:23 -07:00
kspace.h	Adding alloc flag to ev_setup	2017-03-08 12:36:23 -07:00
lammps.cpp	Refactor PYTHON package and wrapper classes	2017-04-11 21:22:30 -04:00
lammps.h	Refactor PYTHON package and wrapper classes	2017-04-11 21:22:30 -04:00
lattice.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15157 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-08 15:41:04 +00:00
lattice.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2014-07-30 14:59:20 +00:00
library.cpp	fix gcmc units change for chemical potential	2017-03-28 12:34:46 -06:00
library.h	added functionity to lib interface	2016-12-13 16:22:17 -07:00
lmptype.h	Fix more typos in src files	2017-03-07 00:55:01 -05:00
lmpwindows.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
main.cpp	Implemented optional C++ exceptions in Error class	2016-08-24 15:31:30 -04:00
math_complex.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2014-07-30 14:59:20 +00:00
math_const.h	comm tiled bug fix	2016-09-16 10:31:52 -06:00
math_extra.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
math_extra.h	fix spring doc page update	2017-01-17 09:02:56 -07:00
math_special.cpp	Stan bug fixes for fix reaxc/bonds/kk	2016-11-09 15:47:50 -07:00
math_special.h	fix double-return warning	2017-01-25 15:22:42 -07:00
math_vector.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
memory.cpp	restore change to make -DLAMMPS_MEMALIGN=64 default when USER-INTEL package is installed (which requires it)	2016-12-14 15:24:55 -05:00
memory.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
min.cpp	print warning about minimization energy with fix box/relax	2017-05-03 15:33:22 -04:00
min.h	print warning about minimization energy with fix box/relax	2017-05-03 15:33:22 -04:00
min_cg.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
min_cg.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2014-07-30 14:59:20 +00:00
min_fire.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
min_fire.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2014-07-30 14:59:20 +00:00
min_hftn.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-08-10 14:59:04 +00:00
min_hftn.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15393 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-07-29 14:28:58 +00:00
min_linesearch.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
min_linesearch.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2014-07-30 14:59:20 +00:00
min_quickmin.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
min_quickmin.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2014-07-30 14:59:20 +00:00
min_sd.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
min_sd.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2014-07-30 14:59:20 +00:00
minimize.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
minimize.h	Adding error checks for Kokkos-incompatible features	2016-01-28 23:32:16 +00:00
modify.cpp	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
modify.h	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
molecule.cpp	Fix more typos in src files	2017-03-07 00:55:01 -05:00
molecule.h	Fix more typos in src files	2017-03-07 00:55:01 -05:00
mpiio.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14655 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-17 15:56:48 +00:00
my_page.h	fixed bug with pair hybrid/overaly and manybody potentials finding the right skip neighbor method	2016-12-21 09:50:29 -07:00
my_pool_chunk.h	extra python_wrapper change needed for last patch	2016-12-16 11:35:42 -07:00
nbin.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
nbin.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
nbin_standard.cpp	simplified neighbor list copying to avoid possible same-timestep re-build issues	2017-01-19 17:01:15 -07:00
nbin_standard.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
neigh_list.cpp	remove a debug print line	2017-02-21 15:57:03 -07:00
neigh_list.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
neigh_request.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
neigh_request.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
neighbor.cpp	neighbor list bugfix to prevent cycle in copy lists	2017-05-09 08:55:18 -06:00
neighbor.h	new neigh_modify exclude option, other SNAP changes	2017-03-07 09:31:12 -07:00
npair.cpp	new neigh_modify exclude option, other SNAP changes	2017-03-07 09:31:12 -07:00
npair.h	new neigh_modify exclude option, other SNAP changes	2017-03-07 09:31:12 -07:00
npair_copy.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_copy.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_full_bin.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_full_bin.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_full_bin_atomonly.cpp	one more line of dead code removed	2017-03-27 15:16:28 -04:00
npair_full_bin_atomonly.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_full_bin_ghost.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_full_bin_ghost.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_full_multi.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_full_multi.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_full_nsq.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_full_nsq.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_full_nsq_ghost.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_full_nsq_ghost.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_bin_atomonly_newton.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_half_bin_atomonly_newton.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_half_bin_newtoff.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_bin_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_bin_newtoff_ghost.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_bin_newtoff_ghost.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_bin_newton.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_bin_newton.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_half_bin_newton_tri.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_bin_newton_tri.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_multi_newtoff.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_multi_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_multi_newton.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_multi_newton.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_multi_newton_tri.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_multi_newton_tri.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_nsq_newtoff.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_nsq_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_nsq_newtoff_ghost.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_nsq_newtoff_ghost.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_nsq_newton.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_nsq_newton.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_respa_bin_newtoff.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_respa_bin_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_respa_bin_newton.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_respa_bin_newton.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_respa_bin_newton_tri.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_respa_bin_newton_tri.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_respa_nsq_newtoff.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_respa_nsq_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_respa_nsq_newton.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_respa_nsq_newton.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_size_bin_newtoff.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_half_size_bin_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_size_bin_newton.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_half_size_bin_newton.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_size_bin_newton_tri.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_half_size_bin_newton_tri.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_size_nsq_newtoff.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_half_size_nsq_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_half_size_nsq_newton.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_half_size_nsq_newton.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_halffull_newtoff.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_halffull_newtoff.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_halffull_newton.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_halffull_newton.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_skip.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_skip.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_skip_respa.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_skip_respa.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_skip_size.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_skip_size.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_skip_size_off2on.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_skip_size_off2on.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
npair_skip_size_off2on_oneside.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
npair_skip_size_off2on_oneside.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
nstencil.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
nstencil_full_bin_2d.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_full_bin_2d.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_full_bin_3d.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_full_bin_3d.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_full_ghost_bin_2d.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_full_ghost_bin_2d.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_full_ghost_bin_3d.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_full_ghost_bin_3d.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_full_multi_2d.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_full_multi_2d.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_full_multi_3d.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_full_multi_3d.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_bin_2d_newtoff.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_bin_2d_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_bin_2d_newton.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_bin_2d_newton.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_bin_2d_newton_tri.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_bin_2d_newton_tri.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_bin_3d_newtoff.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_bin_3d_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_bin_3d_newton.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_bin_3d_newton.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_bin_3d_newton_tri.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_bin_3d_newton_tri.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_ghost_bin_2d_newtoff.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_ghost_bin_2d_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_ghost_bin_3d_newtoff.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_ghost_bin_3d_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_multi_2d_newtoff.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_multi_2d_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_multi_2d_newton.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_multi_2d_newton.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_multi_2d_newton_tri.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_multi_2d_newton_tri.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_multi_3d_newtoff.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_multi_3d_newtoff.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_multi_3d_newton.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_multi_3d_newton.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_multi_3d_newton_tri.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
nstencil_half_multi_3d_newton_tri.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_angle_all.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_angle_all.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_angle_partial.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_angle_partial.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_angle_template.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_angle_template.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_bond_all.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_bond_all.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_bond_partial.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_bond_partial.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_bond_template.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_bond_template.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_dihedral_all.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_dihedral_all.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_dihedral_partial.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_dihedral_partial.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_dihedral_template.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_dihedral_template.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_improper_all.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_improper_all.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_improper_partial.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_improper_partial.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_improper_template.cpp	new neighbor list changes	2016-09-07 13:42:58 -06:00
ntopo_improper_template.h	new neighbor list changes	2016-09-07 13:42:58 -06:00
output.cpp	fix gcmc updates from Aidan, trimming of output for replica commands	2017-04-11 08:35:09 -06:00
output.h	fix gcmc updates from Aidan, trimming of output for replica commands	2017-04-11 08:35:09 -06:00
pack.h	…
pair.cpp	Adding alloc flag to ev_setup	2017-03-08 12:36:23 -07:00
pair.h	add support for USER-TALLY to pair styles hybrid and hybrid/overlay	2017-04-20 14:42:01 -04:00
pair_beck.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_beck.h	…
pair_born.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_born.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_dsf.cpp	Stan bug fixes for fix reaxc/bonds/kk	2016-11-09 15:47:50 -07:00
pair_born_coul_dsf.h	pair style born/coul/dsf added with its coreshell version	2016-11-08 11:32:38 +01:00
pair_born_coul_wolf.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_born_coul_wolf.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11044 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2013-11-22 17:14:39 +00:00
pair_buck.cpp	added molecule option to compute group/group command	2017-02-10 09:25:32 -07:00
pair_buck.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13058 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2015-02-04 22:14:27 +00:00
pair_buck_coul_cut.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_buck_coul_cut.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_cut.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_coul_cut.h	Fixing a few bugs in Kokkos	2015-02-23 23:45:29 +00:00
pair_coul_debye.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_debye.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_coul_dsf.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_coul_dsf.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_coul_streitz.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
pair_coul_streitz.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14494 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-01-25 23:04:56 +00:00
pair_coul_wolf.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_coul_wolf.h	…
pair_dpd.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_dpd.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_dpd_tstat.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_dpd_tstat.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_gauss.cpp	Fix typos in src files	2017-03-05 21:03:40 -05:00
pair_gauss.h	add mixing for pair styles gauss and gauss/cut contributed by andrew jewett. also add support for write_data.	2016-10-18 22:26:47 -04:00
pair_hybrid.cpp	add support to pair_modify to selectively disable compute/tally callbacks in sub-styles for pair hybrid and hybrid/overlay	2017-04-21 14:01:38 -04:00
pair_hybrid.h	add support to pair_modify to selectively disable compute/tally callbacks in sub-styles for pair hybrid and hybrid/overlay	2017-04-21 14:01:38 -04:00
pair_hybrid_overlay.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
pair_hybrid_overlay.h	new SNAP potential for W	2017-02-21 15:49:21 -07:00
pair_lj96_cut.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
pair_lj96_cut.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_cubic.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_lj_cubic.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_cut.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
pair_lj_cut.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_cut_coul_cut.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_lj_cut_coul_cut.h	Fixing a few bugs in Kokkos	2015-02-23 23:45:29 +00:00
pair_lj_cut_coul_debye.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_debye.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_cut_coul_dsf.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_lj_cut_coul_dsf.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_expand.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_lj_expand.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_lj_gromacs.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_lj_gromacs.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_lj_gromacs_coul_gromacs.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_lj_gromacs_coul_gromacs.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_lj_smooth.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_lj_smooth.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_smooth_linear.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_lj_smooth_linear.h	…
pair_mie_cut.cpp	new SNAP potential for W	2017-02-21 15:49:21 -07:00
pair_mie_cut.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_morse.cpp	Merge pull request #247 from akohlmey/bounds-error-with-code-line	2016-11-04 10:58:14 -06:00
pair_morse.h	Ported Morse to KOKKOS	2017-02-01 17:45:21 +01:00
pair_soft.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_soft.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_table.cpp	protect PairTable dtor with copymode	2017-01-05 15:38:45 -07:00
pair_table.h	make PairTable::allocate() virtual	2017-01-05 20:46:05 -07:00
pair_yukawa.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_yukawa.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_zbl.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_zbl.h	Modifed ZBL to accomodate mixing	2015-09-23 00:30:30 +00:00
pair_zero.cpp	add error location propagation to force->bounds() and force->boundsbig()	2016-10-26 15:53:02 -04:00
pair_zero.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14926 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-05-03 16:01:16 +00:00
pointers.h	Refactor PYTHON package and wrapper classes	2017-04-11 21:22:30 -04:00
procmap.cpp	Spelling fixes in source files	2017-03-05 18:30:39 -05:00
procmap.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
python.cpp	implement functions to execute arbitrary python code from strings or files and recast the python source keyword through using them.	2017-05-11 22:39:08 -04:00
python.h	implement functions to execute arbitrary python code from strings or files and recast the python source keyword through using them.	2017-05-11 22:39:08 -04:00
random_mars.cpp	NULLed ptrs in files	2016-11-07 16:07:37 +01:00
random_mars.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
random_park.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-17 23:48:15 +00:00
random_park.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-04-22 15:55:54 +00:00
rcb.cpp	patch 17Mar17	2017-03-17 11:29:23 -06:00
rcb.h	change to RCB cuts in load-balancing commands, also a new option for fix halt	2017-03-10 15:55:07 -07:00
read_data.cpp	Merge branch 'master' into bounds-error-with-code-line	2016-10-28 11:11:28 -04:00
read_data.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14868 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-04-22 17:54:49 +00:00
read_dump.cpp	add fix mscg command, example, lib	2017-01-09 13:36:40 -07:00
read_dump.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
read_restart.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15180 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-15 23:10:12 +00:00
read_restart.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-02-15 15:26:57 +00:00
reader.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
reader.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10926 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2013-11-04 15:52:10 +00:00
reader_native.cpp	add fix mscg command, example, lib	2017-01-09 13:36:40 -07:00
reader_native.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
reader_xyz.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
reader_xyz.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10806 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2013-09-18 16:20:58 +00:00
region.cpp	fix spring doc page update	2017-01-17 09:02:56 -07:00
region.h	new library functions	2016-10-27 09:34:04 -06:00
region_block.cpp	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
region_block.h	new fix wall/gran/region command, REBO bug fix, new example log files	2016-10-06 15:47:41 -06:00
region_cone.cpp	whitespace cleanup	2016-10-24 17:13:21 -04:00
region_cone.h	new fix wall/gran/region command, REBO bug fix, new example log files	2016-10-06 15:47:41 -06:00
region_cylinder.cpp	NULLed ptrs in files	2016-11-07 16:07:37 +01:00
region_cylinder.h	Spelling fixes in source files	2017-03-05 18:30:39 -05:00
region_intersect.cpp	NULLed ptrs in files	2016-11-07 16:07:37 +01:00
region_intersect.h	bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with restarting	2016-10-13 16:55:53 -06:00
region_plane.cpp	new fix wall/gran/region command, REBO bug fix, new example log files	2016-10-06 15:47:41 -06:00
region_plane.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
region_prism.cpp	new fix wall/gran/region command, REBO bug fix, new example log files	2016-10-06 15:47:41 -06:00
region_prism.h	new fix wall/gran/region command, REBO bug fix, new example log files	2016-10-06 15:47:41 -06:00
region_sphere.cpp	whitespace cleanup	2016-10-24 17:13:21 -04:00
region_sphere.h	Spelling fixes in source files	2017-03-05 18:30:39 -05:00
region_union.cpp	NULLed ptrs in files	2016-11-07 16:07:37 +01:00
region_union.h	bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with restarting	2016-10-13 16:55:53 -06:00
replicate.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-06-06 23:21:39 +00:00
replicate.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
rerun.cpp	Fix more typos in src files	2017-03-07 00:55:01 -05:00
rerun.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
respa.cpp	fix gcmc updates from Aidan, trimming of output for replica commands	2017-04-11 08:35:09 -06:00
respa.h	fix gcmc updates from Aidan, trimming of output for replica commands	2017-04-11 08:35:09 -06:00
run.cpp	pair TIP4P bug fix for cutoffs >> box size	2017-01-06 09:57:27 -07:00
run.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
set.cpp	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
set.h	changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution	2017-03-21 08:56:37 -06:00
special.cpp	fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof	2017-03-23 15:31:27 -06:00
special.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13708 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2015-07-24 15:50:34 +00:00
suffix.h	changes to imbalance weight factors	2016-10-05 10:33:39 -06:00
thermo.cpp	change to RCB cuts in load-balancing commands, also a new option for fix halt	2017-03-10 15:55:07 -07:00
thermo.h	Fix typos in src files	2017-03-05 21:03:40 -05:00
timer.cpp	reapply changes to the timer class that got lost somehow	2016-10-18 14:05:08 -04:00
timer.h	reapply changes to the timer class that got lost somehow	2016-10-18 14:05:08 -04:00
universe.cpp	initialize 'nper'	2016-11-11 07:47:42 -05:00
universe.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
update.cpp	fix gcmc units change for chemical potential	2017-03-28 12:34:46 -06:00
update.h	changes to imbalance weight factors	2016-10-05 10:33:39 -06:00
variable.cpp	Refactor PYTHON package and wrapper classes	2017-04-11 21:22:30 -04:00
variable.h	Refactor PYTHON package and wrapper classes	2017-04-11 21:22:30 -04:00
velocity.cpp	add error location propagation to atom->set_mass() and atom->check_mass()	2016-10-26 16:01:40 -04:00
velocity.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
verlet.cpp	fix gcmc updates from Aidan, trimming of output for replica commands	2017-04-11 08:35:09 -06:00
verlet.h	fix gcmc updates from Aidan, trimming of output for replica commands	2017-04-11 08:35:09 -06:00
version.h	patch 4May17	2017-05-04 11:46:58 -06:00
write_coeff.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15387 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-07-28 13:51:40 +00:00
write_coeff.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14877 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-04-26 18:33:10 +00:00
write_data.cpp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15250 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-07-01 23:31:09 +00:00
write_data.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
write_dump.cpp	added LAST option to dump_modify thresh, more restart info printed out to screen	2016-10-11 12:39:52 -06:00
write_dump.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13601 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2015-07-15 21:29:44 +00:00
write_restart.cpp	fix gcmc updates from Aidan, trimming of output for replica commands	2017-04-11 08:35:09 -06:00
write_restart.h	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa	2016-04-22 15:55:54 +00:00