(677b1142) · Commits · 郑智淋 / lammps

src/DIPOLE/pair_lj_cut_dipole_long.h

+1 −1

Original line number	Diff line number	Diff line
		@@ -71,7 +71,7 @@ Self-explanatory. Check the input script or data file.

		E: Pair dipole/long requires atom attributes q, mu, torque

		UNDOCUMENTED
		The atom style defined does not have these attributes.

		E: Cannot (yet) use 'electron' units with dipoles

src/DIPOLE/pair_lj_long_dipole_long.h

+3 −3

Original line number	Diff line number	Diff line
		@@ -76,11 +76,11 @@ Self-explanatory.

		W: Using largest cut-off for lj/long/dipole/long long long

		UNDOCUMENTED
		Self-explanatory.

		E: Cut-offs missing in pair_style lj/long/dipole/long

		UNDOCUMENTED
		Self-explanatory.

		E: Coulombic cut not supported in pair_style lj/long/dipole/long

		@@ -88,7 +88,7 @@ Must use long-range Coulombic interactions.

		E: Only one cut-off allowed when requesting all long

		UNDOCUMENTED
		Self-explanatory.

		E: Incorrect args for pair coefficients

src/GPU/pair_sw_gpu.h

+6 −28

Original line number	Diff line number	Diff line
		@@ -51,42 +51,20 @@ class PairSWGPU : public PairSW {

		E: Insufficient memory on accelerator

		UNDOCUMENTED
		There is insufficient memory on one of the devices specified for the gpu
		package

		E: Pair style sw/gpu requires atom IDs

		UNDOCUMENTED
		This is a requirement to use this potential.

		E: Pair style sw/gpu requires newton pair off

		UNDOCUMENTED
		See the newton command. This is a restriction to use this potential.

		E: All pair coeffs are not set

		UNDOCUMENTED

		U: Illegal ... command

		Self-explanatory. Check the input script syntax and compare to the
		documentation for the command. You can use -echo screen as a
		command-line option when running LAMMPS to see the offending line.

		U: Incorrect args for pair coefficients

		Self-explanatory. Check the input script or data file.

		U: No matching element in ADP potential file

		The ADP potential file does not contain elements that match the
		requested elements.

		U: Cannot open ADP potential file %s

		The specified ADP potential file cannot be opened. Check that the
		path and name are correct.

		U: Incorrect element names in ADP potential file

		The element names in the ADP file do not match those requested.
		All pair coefficients must be set in the data file or by the
		pair_coeff command before running a simulation.

		*/

src/KIM/pair_kim.cpp

+4 −4

Original line number	Diff line number	Diff line
		@@ -381,7 +381,7 @@ void PairKIM::init_style()
		// This is called for each "run ...", "minimize ...", etc. read from input

		if (domain->dimension != 3)
		error->all(FLERR,"PairKIM only works with 3D problems.");
		error->all(FLERR,"PairKIM only works with 3D problems");

		// set lmps_* bool flags
		set_lmps_flags();
		@@ -979,7 +979,7 @@ void PairKIM::set_kim_model_has_flags()

		// get KIM API object representing the KIM Model only
		kimerror = mdl.model_info(kim_modelname);
		kim_error(__LINE__,"KIM initialization failed.", kimerror);
		kim_error(__LINE__,"KIM initialization failed", kimerror);

		// determine if the KIM Model can compute the total energy
		mdl.get_index((char*) "energy", &kimerror);
		@@ -1007,7 +1007,7 @@ void PairKIM::set_kim_model_has_flags()
		kim_model_has_particleVirial = (kimerror == KIM_STATUS_OK);
		mdl.get_index((char*) "process_dEdr", &kimerror);
		kim_model_has_particleVirial = kim_model_has_particleVirial \|\|
		(kimerror == KIM_STATUS_OK);
		(kimerror == KIM_STATUS_OK)<;
		if (!kim_model_has_particleVirial)
		error->warning(FLERR,"KIM Model does not provide `particleVirial'; "
		"virial per atom will be zero");
		@@ -1025,7 +1025,7 @@ void PairKIM::write_descriptor(char** test_descriptor_string)
		{
		// allocate memory
		if (*test_descriptor_string != 0)
		error->all(FLERR, "test_descriptor_string already allocated.");
		error->all(FLERR, "test_descriptor_string already allocated");
		// assuming 75 lines at 100 characters each (should be plenty)
		test_descriptor_string = new char[10075];
		// initialize

src/KIM/pair_kim.h

+3 −16

Original line number	Diff line number	Diff line
		@@ -170,7 +170,7 @@ E: Invalid args for non-hybrid pair coefficients

		E: PairKIM only works with 3D problems.

		UNDOCUMENTED
		This is a current limitation.

		E: All pair coeffs are not set

		@@ -207,21 +207,8 @@ W: KIM Model does not provide `particleVirial'; virial per atom will be zero

		Self-explanatory.

		E: test_descriptor_string already allocated.
		E: Test_descriptor_string already allocated.

		UNDOCUMENTED

		U: PairKIM only works with 3D problems

		The KIM API does not explicitly support anything other than 3D problems

		U: Internal KIM error

		Self-explanatory. Check the output and kim.log file for more details.

		U: test_descriptor_string already allocated

		This should not happen. It likely indicates a bug in the pair_kim
		implementation.
		This is an internal error. Contact the developers.

		*/

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