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Searched refs:dTduy (Results 1 – 20 of 20) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/kbpp/
H A Dintegrate_kbpp_band_stress_nonlocal_new.F133 dTduy = 0.0d0
157 dTduy = -gy*gz
169 dTduy = gx*gz
181 dTduy = 0.0d0
205 dTduy = 0.0d0
224 dTduy = 0.0d0
236 dTduy = gx
248 dTduy = gz
260 dTduy = 0.0d0
272 dTduy = -gy
[all …]
H A Dintegrate_kbpp_e_band_stress_nonlocal_new.F146 dTduy = 0.0d0
170 dTduy = -gy*gz
182 dTduy = gx*gz
194 dTduy = 0.0d0
218 dTduy = 0.0d0
239 dTduy = 0.0d0
251 dTduy = gx
263 dTduy = gz
275 dTduy = 0.0d0
287 dTduy = -gy
[all …]
H A Dintegrate_kbpp_e_band_stress_nonlocal.F160 dTduy = 0.0d0
184 dTduy = -gy*gz
196 dTduy = gx*gz
208 dTduy = 0.0d0
232 dTduy = 0.0d0
269 dTduy = 0.0d0
281 dTduy = gx
293 dTduy = gz
305 dTduy = 0.0d0
317 dTduy = -gy
[all …]
H A Dintegrate_kbpp_band_stress_nonlocal.F147 dTduy = 0.0d0
171 dTduy = -gy*gz
183 dTduy = gx*gz
195 dTduy = 0.0d0
219 dTduy = 0.0d0
254 dTduy = 0.0d0
266 dTduy = gx
278 dTduy = gz
290 dTduy = 0.0d0
302 dTduy = -gy
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/kbpp/
H A Dintegrate_kbpp_band_stress_nonlocal_new.F133 dTduy = 0.0d0
157 dTduy = -gy*gz
169 dTduy = gx*gz
181 dTduy = 0.0d0
205 dTduy = 0.0d0
224 dTduy = 0.0d0
236 dTduy = gx
248 dTduy = gz
260 dTduy = 0.0d0
272 dTduy = -gy
[all …]
H A Dintegrate_kbpp_e_band_stress_nonlocal_new.F146 dTduy = 0.0d0
170 dTduy = -gy*gz
182 dTduy = gx*gz
194 dTduy = 0.0d0
218 dTduy = 0.0d0
239 dTduy = 0.0d0
251 dTduy = gx
263 dTduy = gz
275 dTduy = 0.0d0
287 dTduy = -gy
[all …]
H A Dintegrate_kbpp_e_band_stress_nonlocal.F160 dTduy = 0.0d0
184 dTduy = -gy*gz
196 dTduy = gx*gz
208 dTduy = 0.0d0
232 dTduy = 0.0d0
269 dTduy = 0.0d0
281 dTduy = gx
293 dTduy = gz
305 dTduy = 0.0d0
317 dTduy = -gy
[all …]
H A Dintegrate_kbpp_band_stress_nonlocal.F147 dTduy = 0.0d0
171 dTduy = -gy*gz
183 dTduy = gx*gz
195 dTduy = 0.0d0
219 dTduy = 0.0d0
254 dTduy = 0.0d0
266 dTduy = gx
278 dTduy = gz
290 dTduy = 0.0d0
302 dTduy = -gy
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/kbpp/
H A Dintegrate_e_stress_new.F234 dTduy = gx*gz
258 dTduy = 0.0d0
270 dTduy = 0.0d0
294 dTduy = 0.0d0
316 dTduy = gx
328 dTduy = gz
340 dTduy = 0.0d0
352 dTduy = 0.0d0
364 dTduy = -gy
385 dTduy = 1.0d0
[all …]
H A Dintegrate_d_stress_new.F212 dTduy = gx*gz
236 dTduy = 0.0d0
248 dTduy = 0.0d0
272 dTduy = 0.0d0
293 dTduy = gx
305 dTduy = gz
317 dTduy = 0.0d0
329 dTduy = 0.0d0
341 dTduy = -gy
360 dTduy = 1.0d0
[all …]
H A Dintegrate_d_stress.F186 dTduy = gx*gz
210 dTduy = 0.0d0
222 dTduy = 0.0d0
246 dTduy = 0.0d0
281 dTduy = gx
293 dTduy = gz
305 dTduy = 0.0d0
317 dTduy = 0.0d0
329 dTduy = -gy
359 dTduy = 1.0d0
[all …]
H A Dintegrate_e_stress.F200 dTduy = gx*gz
224 dTduy = 0.0d0
236 dTduy = 0.0d0
260 dTduy = 0.0d0
297 dTduy = gx
309 dTduy = gz
321 dTduy = 0.0d0
333 dTduy = 0.0d0
345 dTduy = -gy
377 dTduy = 1.0d0
[all …]
H A Dintegrate_stress_new.F208 dTduy = gx*gz
232 dTduy = 0.0d0
244 dTduy = 0.0d0
268 dTduy = 0.0d0
289 dTduy = gx
301 dTduy = gz
313 dTduy = 0.0d0
325 dTduy = 0.0d0
337 dTduy = -gy
356 dTduy = 1.0d0
[all …]
H A Dintegrate_stress.F179 dTduy = gx*gz
203 dTduy = 0.0d0
215 dTduy = 0.0d0
239 dTduy = 0.0d0
275 dTduy = gx
287 dTduy = gz
299 dTduy = 0.0d0
311 dTduy = 0.0d0
323 dTduy = -gy
353 dTduy = 1.0d0
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/kbpp/
H A Dintegrate_d_stress_new.F212 dTduy = gx*gz
236 dTduy = 0.0d0
248 dTduy = 0.0d0
272 dTduy = 0.0d0
293 dTduy = gx
305 dTduy = gz
317 dTduy = 0.0d0
329 dTduy = 0.0d0
341 dTduy = -gy
360 dTduy = 1.0d0
[all …]
H A Dintegrate_e_stress_new.F234 dTduy = gx*gz
258 dTduy = 0.0d0
270 dTduy = 0.0d0
294 dTduy = 0.0d0
316 dTduy = gx
328 dTduy = gz
340 dTduy = 0.0d0
352 dTduy = 0.0d0
364 dTduy = -gy
385 dTduy = 1.0d0
[all …]
H A Dintegrate_d_stress.F186 dTduy = gx*gz
210 dTduy = 0.0d0
222 dTduy = 0.0d0
246 dTduy = 0.0d0
281 dTduy = gx
293 dTduy = gz
305 dTduy = 0.0d0
317 dTduy = 0.0d0
329 dTduy = -gy
359 dTduy = 1.0d0
[all …]
H A Dintegrate_e_stress.F200 dTduy = gx*gz
224 dTduy = 0.0d0
236 dTduy = 0.0d0
260 dTduy = 0.0d0
297 dTduy = gx
309 dTduy = gz
321 dTduy = 0.0d0
333 dTduy = 0.0d0
345 dTduy = -gy
377 dTduy = 1.0d0
[all …]
H A Dintegrate_stress_new.F208 dTduy = gx*gz
232 dTduy = 0.0d0
244 dTduy = 0.0d0
268 dTduy = 0.0d0
289 dTduy = gx
301 dTduy = gz
313 dTduy = 0.0d0
325 dTduy = 0.0d0
337 dTduy = -gy
356 dTduy = 1.0d0
[all …]
H A Dintegrate_stress.F179 dTduy = gx*gz
203 dTduy = 0.0d0
215 dTduy = 0.0d0
239 dTduy = 0.0d0
275 dTduy = gx
287 dTduy = gz
299 dTduy = 0.0d0
311 dTduy = 0.0d0
323 dTduy = -gy
353 dTduy = 1.0d0
[all …]