ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update a few more comments

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-02-10 14:27:17 -05:00
parent 006de01c05
commit 95a4ac157b
2 changed files with 3 additions and 3 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
src/fix_box_relax.cpp
View File

@ -738,7 +738,7 @@ void FixBoxRelax::couple()
if (!std::isfinite(p_current[0]) || !std::isfinite(p_current[1]) || !std::isfinite(p_current[2])) if (!std::isfinite(p_current[0]) || !std::isfinite(p_current[1]) || !std::isfinite(p_current[2]))
error->all(FLERR,"Non-numeric pressure - simulation unstable"); error->all(FLERR,"Non-numeric pressure - simulation unstable");
// switch order from xy-xz-yz to Voigt // switch order from xy-xz-yz to Voigt ordering
if (pstyle == TRICLINIC) { if (pstyle == TRICLINIC) {
p_current[3] = tensor[5]; p_current[3] = tensor[5];

4
src/fix_nh.cpp
View File

@ -1063,7 +1063,7 @@ void FixNH::couple()
if (!std::isfinite(p_current[0]) || !std::isfinite(p_current[1]) || !std::isfinite(p_current[2])) if (!std::isfinite(p_current[0]) || !std::isfinite(p_current[1]) || !std::isfinite(p_current[2]))
error->all(FLERR,"Non-numeric pressure - simulation unstable"); error->all(FLERR,"Non-numeric pressure - simulation unstable");
// switch order from xy-xz-yz to Voigt // switch order from xy-xz-yz to Voigt ordering
if (pstyle == TRICLINIC) { if (pstyle == TRICLINIC) {
p_current[3] = tensor[5]; p_current[3] = tensor[5];
@ -1118,7 +1118,7 @@ void FixNH::remap()
// h_dot = omega_dot * h // h_dot = omega_dot * h
// //
// where h_dot, omega_dot and h are all upper-triangular // where h_dot, omega_dot and h are all upper-triangular
// 3x3 tensors. In Voigt notation, the elements of the // 3x3 tensors. In Voigt ordering, the elements of the
// RHS product tensor are: // RHS product tensor are:
// h_dot = [0*0, 1*1, 2*2, 1*3+3*2, 0*4+5*3+4*2, 0*5+5*1] // h_dot = [0*0, 1*1, 2*2, 1*3+3*2, 0*4+5*3+4*2, 0*5+5*1]
// //