| version 1.4 | version 1.5 |
|---|
| |
| #include "HomePatch.h" | #include "HomePatch.h" |
| #include "Molecule.h" | #include "Molecule.h" |
| | |
| #define DEBUGM | //#define DEBUGM |
| #define MIN_DEBUG_LEVEL 4 | #define MIN_DEBUG_LEVEL 4 |
| #include "Debug.h" | #include "Debug.h" |
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| |
| + gbox.b[56] + gbox.b[57] + gbox.b[58] + gbox.b[59] + gbox.b[60] + gbox.b[61] + gbox.b[62] + gbox.b[63]; | + gbox.b[56] + gbox.b[57] + gbox.b[58] + gbox.b[59] + gbox.b[60] + gbox.b[61] + gbox.b[62] + gbox.b[63]; |
| | |
| //for (int j = 0; j < 64; j++) DebugM(4, "a[" << j << "] = " << a[j] << "\n" << endi); | //for (int j = 0; j < 64; j++) DebugM(4, "a[" << j << "] = " << a[j] << "\n" << endi); |
| for (int j = 0; j < 64; j++) DebugM(4, "b[" << j << "] = " << gbox.b[j] << "\n" << endi); | //for (int j = 0; j < 64; j++) DebugM(4, "b[" << j << "] = " << gbox.b[j] << "\n" << endi); |
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| // Calculate powers of x, y, z for later use | // Calculate powers of x, y, z for later use |
| // e.g. x[2] = x^2 | // e.g. x[2] = x^2 |
| |
| } | } |
| } | } |
| | |
| Force force = scale * Tensor::diagonal(simParams->gridforceScale) * charge * (inv * f); | // Force force = scale * Tensor::diagonal(simParams->gridforceScale) * charge * (inv * f); |
| | Force force = scale * Tensor::diagonal(simParams->gridforceScale) * charge * (f * inv); // Must multiply ON THE RIGHT by inv tensor |
| | |
| | DebugM(4, "f4 = " << f << "\n" << endi); |
| DebugM(4, "force4 = " << force << "\n" << endi); | DebugM(4, "force4 = " << force << "\n" << endi); |
| DebugM(4, "v4 = " << v << "\n" << endi); | DebugM(4, "v4 = " << v << "\n" << endi); |
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