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Update comments mentioning lammps.py

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This commit is contained in:
Richard Berger
2020-12-17 12:12:04 -05:00
parent bcb89a1d90
commit 511a1a5395
3 changed files with 7 additions and 7 deletions
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2
examples/COUPLE/python/example.py
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@ -1,4 +1,4 @@
# this example requires the LAMMPS Python package (lammps.py) to be installed # this example requires the LAMMPS Python package (python/lammps) to be installed
# and LAMMPS to be loadable as shared library in LD_LIBRARY_PATH # and LAMMPS to be loadable as shared library in LD_LIBRARY_PATH
import lammps import lammps

6
python/lammps/core.py
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@ -95,7 +95,7 @@ class lammps(object):
# load liblammps.so unless name is given # load liblammps.so unless name is given
# if name = "g++", load liblammps_g++.so # if name = "g++", load liblammps_g++.so
# try loading the LAMMPS shared object from the location # try loading the LAMMPS shared object from the location
# of lammps.py with an absolute path, # of the lammps package with an absolute path,
# so that LD_LIBRARY_PATH does not need to be set for regular install # so that LD_LIBRARY_PATH does not need to be set for regular install
# fall back to loading with a relative path, # fall back to loading with a relative path,
# typically requires LD_LIBRARY_PATH to be set appropriately # typically requires LD_LIBRARY_PATH to be set appropriately
@ -319,7 +319,7 @@ class lammps(object):
narg = 0 narg = 0
cargs = None cargs = None
if cmdargs: if cmdargs:
cmdargs.insert(0,"lammps.py") cmdargs.insert(0,"lammps")
narg = len(cmdargs) narg = len(cmdargs)
for i in range(narg): for i in range(narg):
if type(cmdargs[i]) is str: if type(cmdargs[i]) is str:
@ -341,7 +341,7 @@ class lammps(object):
self.comm = self.MPI.COMM_WORLD self.comm = self.MPI.COMM_WORLD
self.opened = 1 self.opened = 1
if cmdargs: if cmdargs:
cmdargs.insert(0,"lammps.py") cmdargs.insert(0,"lammps")
narg = len(cmdargs) narg = len(cmdargs)
for i in range(narg): for i in range(narg):
if type(cmdargs[i]) is str: if type(cmdargs[i]) is str:

6
src/library.h
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@ -42,7 +42,7 @@
/** Data type constants for extracting data from atoms, computes and fixes /** Data type constants for extracting data from atoms, computes and fixes
* *
* Must be kept in sync with the equivalent constants in lammps.py */ * Must be kept in sync with the equivalent constants in lammps/constants.py */
enum _LMP_DATATYPE_CONST { enum _LMP_DATATYPE_CONST {
LAMMPS_INT = 0, /*!< 32-bit integer (array) */ LAMMPS_INT = 0, /*!< 32-bit integer (array) */
@ -56,7 +56,7 @@ enum _LMP_DATATYPE_CONST {
/** Style constants for extracting data from computes and fixes. /** Style constants for extracting data from computes and fixes.
* *
* Must be kept in sync with the equivalent constants in lammps.py */ * Must be kept in sync with the equivalent constants in lammps/constants.py */
enum _LMP_STYLE_CONST { enum _LMP_STYLE_CONST {
LMP_STYLE_GLOBAL=0, /*!< return global data */ LMP_STYLE_GLOBAL=0, /*!< return global data */
@ -66,7 +66,7 @@ enum _LMP_STYLE_CONST {
/** Type and size constants for extracting data from computes and fixes. /** Type and size constants for extracting data from computes and fixes.
* *
* Must be kept in sync with the equivalent constants in lammps.py */ * Must be kept in sync with the equivalent constants in lammps/constants.py */
enum _LMP_TYPE_CONST { enum _LMP_TYPE_CONST {
LMP_TYPE_SCALAR=0, /*!< return scalar */ LMP_TYPE_SCALAR=0, /*!< return scalar */